(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H24N2O6 MolecularWeight: 436.45716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H24N2O6/c1-2-16-7-8-19-18(14-23(27)32-22(19)13-16)15-31-24(28)17-9-11-25(12-10-17)20-5-3-4-6-21(20)26(29)30/h3-8,13-14,17H,2,9-12,15H2,1H3