propan-2-yl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-(2-nitrophenyl)propanoate CAS Name: 3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-(2-nitrophenyl)propanoate Traditional Name: 3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C20H25NO6/c1-12(2)27-18(24)9-14(13-7-5-6-8-15(13)21(25)26)19-16(22)10-20(3,4)11-17(19)23/h5-8,12,14,22H,9-11H2,1-4H3