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

Systemtic Name: 4-(3-cycloheptyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinolin-4-yl)-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[3-(cycloheptoxycarbonyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[3-[cycloheptyloxy(oxo)methyl]-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-(3-cycloheptyloxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinolin-4-yl)-2-ethoxy-6-nitrophenolate Traditional Name: 4-[3-(cycloheptoxycarbonyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinolin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C28H35N2O7- MolecularWeight: 511.5867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OC4CCCCCC4)C)(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=O)CC(C=C3NC(=C2C(=O)OC4CCCCCC4)C)(C)C

InChI

InChI=1S/C28H36N2O7/c1-5-36-22-13-17(12-20(26(22)32)30(34)35)24-23(27(33)37-18-10-8-6-7-9-11-18)16(2)29-19-14-28(3,4)15-21(31)25(19)24/h12-14,18,24-25,29,32H,5-11,15H2,1-4H3/p-1