[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-16-7-9-18(10-8-16)23-21(26)15-30-22(27)17-11-13-24(14-12-17)19-5-3-4-6-20(19)25(28)29/h3-10,17H,2,11-15H2,1H3,(H,23,26)