[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O5/c33-27(23-19-30-24-13-7-6-12-22(23)24)28(20-10-4-3-5-11-20)37-29(34)21-14-15-25(26(18-21)32(35)36)31-16-8-1-2-9-17-31/h3-7,10-15,18-19,28,30H,1-2,8-9,16-17H2