propan-2-yl 2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 2,7,7-trimethyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(4-hydroxy-3-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-11(2)30-21(27)18-12(3)23-14-9-22(4,5)10-17(26)20(14)19(18)13-6-7-16(25)15(8-13)24(28)29/h6-9,11,19-20,23,25H,10H2,1-5H3