methyl 2,7,7-trimethyl-4-(4-nitro-3-oxidanyl-phenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 2,7,7-trimethyl-4-(4-nitro-3-oxidanyl-phenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(3-hydroxy-4-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-hydroxy-4-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-hydroxy-4-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-hydroxy-4-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C20H22N2O6/c1-10-16(19(25)28-4)17(11-5-6-13(22(26)27)14(23)7-11)18-12(21-10)8-20(2,3)9-15(18)24/h5-7,17,21,23H,8-9H2,1-4H3