[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-15-3-2-10-25(13-15)19-9-6-17(11-20(19)26(29)30)22(28)31-14-21(27)24-18-7-4-16(12-23)5-8-18/h4-9,11,15H,2-3,10,13-14H2,1H3,(H,24,27)