ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(4-nitrophenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC=C(C=C3)[N+](=O)[O-])(C)C)C

InChI

InChI=1S/C21H24N2O5/c1-5-28-20(25)17-12(2)22-15-10-21(3,4)11-16(24)19(15)18(17)13-6-8-14(9-7-13)23(26)27/h6-10,18-19,22H,5,11H2,1-4H3