Methyl 4-{4-[4-(methoxycarbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl}-3-nitrobenzoate

Catalog No. :
ACMNFE672
CAS No. :
478040-97-0
Molecular Formula :
C21H22N4O8
Molecular Weight :
458.43

IUPAC Name:dimethyl 4,4'-(1,4-diazepane-1,4-diyl)bis(3-nitrobenzoate)

Methyl 4-{4-[4-(methoxycarbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl}-3-nitrobenzoate structure diagram
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Product Information

Product NameMethyl 4-{4-[4-(methoxycarbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl}-3-nitrobenzoate
IUPAC Namedimethyl 4,4'-(1,4-diazepane-1,4-diyl)bis(3-nitrobenzoate)
MDL No.MFCD02187159
Molecular FormulaC21H22N4O8
Molecular Weight458.43
SMILESO=C(OC)C1=CC=C(N2CCN(C3=CC=C(C(OC)=O)C=C3[N+]([O-])=O)CCC2)C([N+]([O-])=O)=C1
InChI KeyNOTLIJICBVRBHB-UHFFFAOYSA-N
SynonymMETHYL 4-(4-[4-(METHOXYCARBONYL)-2-NITROPHENYL]-1,4-DIAZEPAN-1-YL)-3-NITROBENZENECARBOXYLATE;methyl 4-{4-[4-(methoxycarbonyl)-2-nitrophenyl]-1,4-diazepan-1-yl}-3-nitrobenzoate;Benzoic acid, 4,4'-(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)bis[3-nitro-, dimethyl ester (9CI)
CAS No.478040-97-0

Synthetic Route by SureRoute

1. ACMNFE672 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACMNFE672 route product structure diagram
    ACMNFE672478040-97-0
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2. ACMNFE672 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACBJWD562 route compound structure diagram
    ACBJWD56299-42-3 In Stock
  4. Then
  5. ACMNFE672 route product structure diagram
    ACMNFE672478040-97-0
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