(E)-2-(4-chloranyl-2-methyl-phenyl)carbonyl-3-(dimethylamino)-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-2-(4-chloranyl-2-methyl-phenyl)carbonyl-3-(dimethylamino)-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-2-(4-chloro-2-methyl-benzoyl)-3-(dimethylamino)-3-hydroxy-prop-2-enenitrile CAS Name: (E)-2-[(4-chloro-2-methylphenyl)-oxomethyl]-3-(dimethylamino)-3-hydroxy-2-propenenitrile IUPAC Name: (E)-2-(4-chloro-2-methylbenzoyl)-3-(dimethylamino)-3-hydroxyprop-2-enenitrile Traditional Name: (E)-2-(4-chloro-2-methyl-benzoyl)-3-(dimethylamino)-3-hydroxy-acrylonitrile Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C(=C(N(C)C)O)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)/C(=C(\N(C)C)/O)/C#N

InChI

InChI=1S/C13H13ClN2O2/c1-8-6-9(14)4-5-10(8)12(17)11(7-15)13(18)16(2)3/h4-6,18H,1-3H3/b13-11+