methyl (4R,4aS,8aR)-2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl (4R,4aS,8aR)-2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl (4R,4aS,8aR)-4-(4-hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R,4aS,8aR)-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aS,8aR)-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R,4aS,8aR)-4-(4-hydroxy-3-nitro-phenyl)-5-keto-2-methyl-4,4a,8,8a-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(N1)CC=CC2=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H]([C@H]2[C@H](N1)CC=CC2=O)C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H18N2O6/c1-9-15(18(23)26-2)16(17-11(19-9)4-3-5-14(17)22)10-6-7-13(21)12(8-10)20(24)25/h3,5-8,11,16-17,19,21H,4H2,1-2H3/t11-,16-,17+/m1/s1