4-(3-cyclopentyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate

Systemtic Name: 4-(3-cyclopentyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-[3-(cyclopentoxycarbonyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[3-[cyclopentyloxy(oxo)methyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-(3-cyclopentyloxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitrophenolate Traditional Name: 4-[3-(cyclopentoxycarbonyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C24H27N2O6- MolecularWeight: 439.48098

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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)OC4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6/c1-13-20(23(29)32-15-6-4-5-7-15)21(14-8-9-18(27)17(10-14)26(30)31)22-16(25-13)11-24(2,3)12-19(22)28/h8-11,15,21-22,25,27H,4-7,12H2,1-3H3/p-1