[1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-15-7-6-12-25(14-15)19-11-10-17(13-20(19)26(29)30)23(28)32-16(2)22(27)24-18-8-4-5-9-21(18)31-3/h4-5,8-11,13,15-16H,6-7,12,14H2,1-3H3,(H,24,27)