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

Systemtic Name: cycloheptyl 4-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-5-keto-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid cycloheptyl ester Formula: C28H36N2O7 MolecularWeight: 512.59464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[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