cycloheptyl (4S)-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cycloheptyl (4S)-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cycloheptyl (4S)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid cycloheptyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C([C@@H](CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3CCCCCC3

InChI

InChI=1S/C20H24N2O5/c1-13-19(20(24)27-16-6-4-2-3-5-7-16)17(12-18(23)21-13)14-8-10-15(11-9-14)22(25)26/h8-11,16-17H,2-7,12H2,1H3,(H,21,23)/t17-/m0/s1