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

Systemtic Name: cyclopentyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCC4

InChI

InChI=1S/C24H28N2O5/c1-14-20(23(28)31-17-6-4-5-7-17)21(15-8-10-16(11-9-15)26(29)30)22-18(25-14)12-24(2,3)13-19(22)27/h8-12,17,21-22,25H,4-7,13H2,1-3H3