4-[(4S)-3-cycloheptyloxycarbonyl-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S)-3-cycloheptyloxycarbonyl-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-3-(cycloheptoxycarbonyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4S)-3-[cycloheptyloxy(oxo)methyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-3-cycloheptyloxycarbonyl-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S)-3-(cycloheptoxycarbonyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C26H31N2O7- MolecularWeight: 483.53354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CCCC3=O

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2C3C(=NC(=C2C(=O)OC4CCCCCC4)C)CCCC3=O

InChI

InChI=1S/C26H32N2O7/c1-3-34-21-14-16(13-19(25(21)30)28(32)33)23-22(26(31)35-17-9-6-4-5-7-10-17)15(2)27-18-11-8-12-20(29)24(18)23/h13-14,17,23-24,30H,3-12H2,1-2H3/p-1/t23-,24?/m0/s1