2-cyanoethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Openeye Name: 2-cyanoethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate CAS Name: (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4S)-2-methyl-4-(3-nitrophenyl)-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(3-nitrophenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC#N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42

InChI

InChI=1S/C23H17N3O5/c1-13-18(23(28)31-11-5-10-24)19(14-6-4-7-15(12-14)26(29)30)20-21(25-13)16-8-2-3-9-17(16)22(20)27/h2-4,6-9,12,18-19H,5,11H2,1H3/t18?,19-/m1/s1