ethyl 1-[2-nitro-5-[[4-(phenylcarbonyl)phenyl]amino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-nitro-5-[[4-(phenylcarbonyl)phenyl]amino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-(4-benzoylanilino)-2-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[5-(4-benzoylanilino)-2-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-benzoylanilino)-2-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-benzoylanilino)-2-nitro-phenyl]isonipecotic acid ethyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)NC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O5/c1-2-35-27(32)21-14-16-29(17-15-21)25-18-23(12-13-24(25)30(33)34)28-22-10-8-20(9-11-22)26(31)19-6-4-3-5-7-19/h3-13,18,21,28H,2,14-17H2,1H3