cyclopentyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cyclopentyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C25H28N2O7 MolecularWeight: 468.49902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C(=O)OC5CCCC5

InChI

InChI=1S/C25H28N2O7/c1-13-21(24(29)34-14-6-4-5-7-14)22(23-16(26-13)10-25(2,3)11-18(23)28)15-8-19-20(33-12-32-19)9-17(15)27(30)31/h8-9,14,22,26H,4-7,10-12H2,1-3H3