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

Systemtic Name: 4-(3-cyclohexyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitro-phenolate Openeye Name: 4-[3-(cyclohexoxycarbonyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[3-[cyclohexyloxy(oxo)methyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-(3-cyclohexyloxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-nitrophenolate Traditional Name: 4-[3-(cyclohexoxycarbonyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinolin-4-yl]-2-nitro-phenolate Formula: C25H29N2O6- MolecularWeight: 453.50756

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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)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C(=O)OC4CCCCC4

InChI

InChI=1S/C25H30N2O6/c1-14-21(24(30)33-16-7-5-4-6-8-16)22(15-9-10-19(28)18(11-15)27(31)32)23-17(26-14)12-25(2,3)13-20(23)29/h9-12,16,22-23,26,28H,4-8,13H2,1-3H3/p-1