[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-(2-chloroanilino)-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloroanilino)-2-oxoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-(2-chloroanilino)-2-keto-ethyl] ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O5/c1-14-8-10-24(11-9-14)19-7-6-15(25(28)29)12-16(19)21(27)30-13-20(26)23-18-5-3-2-4-17(18)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)