methyl (4S,4aS)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: methyl (4S,4aS)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,4aS)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,4aS)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS)-5-keto-2-methyl-4-(3-nitrophenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CCCC(=O)C2C(C1C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-10-15(18(22)25-2)16(11-5-3-6-12(9-11)20(23)24)17-13(19-10)7-4-8-14(17)21/h3,5-7,9,15-17H,4,8H2,1-2H3/t15?,16-,17+/m1/s1