cycloheptyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=O)CCC=C3NC(=C2C(=O)OC4CCCCCC4)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3C(=O)CCC=C3NC(=C2C(=O)OC4CCCCCC4)C

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/h11,13-14,17,23-24,27,30H,3-10,12H2,1-2H3