methyl 4-[[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-nitrobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)17-8-6-16(7-9-17)15-22-10-3-11-23(13-12-22)20(25)18-4-2-5-19(14-18)24(27)28/h2,4-9,14H,3,10-13,15H2,1H3