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

Systemtic Name: methyl 2-methyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 2-methyl-4-(5-methyl-4-nitro-2-thienyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(5-methyl-4-nitro-2-thiophenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(5-methyl-4-nitrothiophen-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(5-methyl-4-nitro-2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O5S/c1-8-14(17(21)24-3)16(13-7-11(19(22)23)9(2)25-13)15-10(18-8)5-4-6-12(15)20/h5,7,15-16,18H,4,6H2,1-3H3