ethyl 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzoic acid ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-3-32-23(28)19-13-18(14-20(15-19)26(29)30)22(27)25-10-4-9-24(11-12-25)16-17-5-7-21(31-2)8-6-17/h5-8,13-15H,3-4,9-12,16H2,1-2H3