[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 1-(m-tolylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[(3-methylanilino)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylate Traditional Name: 1-(m-tolylcarbamoyl)isonipecotic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C22H23ClN4O6 MolecularWeight: 474.89422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCC(CC2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O6/c1-14-3-2-4-16(11-14)24-22(30)26-9-7-15(8-10-26)21(29)33-13-20(28)25-19-12-17(27(31)32)5-6-18(19)23/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,30)(H,25,28)