4-[(4R)-3-cycloheptyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4R)-3-cycloheptyloxycarbonyl-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-3-(cycloheptoxycarbonyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R)-3-[cycloheptyloxy(oxo)methyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-3-cycloheptyloxycarbonyl-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R)-3-(cycloheptoxycarbonyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C27H33N2O7- MolecularWeight: 497.56012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)OC4CCCCCC4

InChI

InChI=1S/C27H34N2O7/c1-15-22(26(32)36-17-9-7-5-6-8-10-17)23(24-18(28-15)13-27(2,3)14-20(24)30)16-11-19(29(33)34)25(31)21(12-16)35-4/h11-12,17,23,28,31H,5-10,13-14H2,1-4H3/p-1/t23-/m0/s1