methyl 2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-9,13,20-21,23,25H,10H2,1-2H3