[1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyanilino)-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-15(21(26)23-17-7-9-18(30-2)10-8-17)31-22(27)16-11-13-24(14-12-16)19-5-3-4-6-20(19)25(28)29/h3-10,15-16H,11-14H2,1-2H3,(H,23,26)