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

Systemtic Name: methyl 3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-(2-nitrophenyl)propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(CC(=O)OC)C2=CC=CC=C2[N+](=O)[O-])O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(CC(=O)OC)C2=CC=CC=C2[N+](=O)[O-])O)C

InChI

InChI=1S/C18H21NO6/c1-18(2)9-14(20)17(15(21)10-18)12(8-16(22)25-3)11-6-4-5-7-13(11)19(23)24/h4-7,12,20H,8-10H2,1-3H3