[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O6/c22-15-6-7-18(26(30)31)17(12-15)24-19(27)13-32-20(28)14-8-10-25(11-9-14)21(29)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,29)(H,24,27)