cycloheptyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: cycloheptyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C27H34N2O7 MolecularWeight: 498.56806

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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(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