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

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N2O5/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/h10-15,18,20H,1-9,16-17,19H2