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

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O5/c1-4-17(2)20-9-5-6-10-21(20)26-24(29)18(3)33-25(30)19-13-15-27(16-14-19)22-11-7-8-12-23(22)28(31)32/h5-12,17-19H,4,13-16H2,1-3H3,(H,26,29)