cycloheptyl (4S,4aR)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cycloheptyl (4S,4aR)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cycloheptyl (4S,4aR)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aR)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S,4aR)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aR)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cycloheptyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)OC4CCCCCC4

InChI

InChI=1S/C25H30N2O7/c1-14-21(25(30)34-16-8-5-3-4-6-9-16)22(23-17(26-14)10-7-11-19(23)28)15-12-18(27(31)32)24(29)20(13-15)33-2/h12-13,16,22-23,29H,3-11H2,1-2H3/t22-,23+/m0/s1