[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N2O5/c30-26(22-12-10-21(11-13-22)20-8-4-3-5-9-20)19-34-27(31)23-14-15-24(25(18-23)29(32)33)28-16-6-1-2-7-17-28/h3-5,8-15,18H,1-2,6-7,16-17,19H2