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

Systemtic Name: methyl (3S,4S)-3-cyano-6-methyl-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: methyl (3S,4S)-3-cyano-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (3S,4S)-3-cyano-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-cyano-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (3S,4S)-3-cyano-2-keto-6-methyl-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid methyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-8-12(15(20)23-2)13(11(7-16)14(19)17-8)9-3-5-10(6-4-9)18(21)22/h3-6,11,13H,1-2H3,(H,17,19)/t11-,13-/m1/s1