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

Systemtic Name: propyl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-(2-nitrophenyl)propanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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