[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c27-22(24-19-9-8-16-4-3-5-18(16)14-19)15-31-23(28)17-10-12-25(13-11-17)20-6-1-2-7-21(20)26(29)30/h1-2,6-9,14,17H,3-5,10-13,15H2,(H,24,27)