(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-(2-nitrophenyl)ethanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-(2-nitrophenyl)ethanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)CC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)CC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H17NO5/c1-16(2)9-12(18)8-13(10-16)22-15(19)7-11-5-3-4-6-14(11)17(20)21/h3-6,8H,7,9-10H2,1-2H3