(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2,4-bis(chloranyl)-3-[(E)-prop-2-ynoxyiminomethyl]benzoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2,4-bis(chloranyl)-3-[(E)-prop-2-ynoxyiminomethyl]benzoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2,4-dichloro-3-[(E)-prop-2-ynoxyiminomethyl]benzoate CAS Name: 2,4-dichloro-3-[(E)-prop-2-ynoxyiminomethyl]benzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 2,4-dichloro-3-[(E)-prop-2-ynoxyiminomethyl]benzoate Traditional Name: 2,4-dichloro-3-[(E)-propargyloximinomethyl]benzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C19H17Cl2NO4 MolecularWeight: 394.24858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)C2=C(C(=C(C=C2)Cl)C=NOCC#C)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)C2=C(C(=C(C=C2)Cl)/C=N/OCC#C)Cl)C

InChI

InChI=1S/C19H17Cl2NO4/c1-4-7-25-22-11-15-16(20)6-5-14(17(15)21)18(24)26-13-8-12(23)9-19(2,3)10-13/h1,5-6,8,11H,7,9-10H2,2-3H3/b22-11+