[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H20N4O3/c1-14-17(15(2)23(22-14)16-7-4-3-5-8-16)9-10-19(25)26-13-18(24)21-12-6-11-20/h3-5,7-10H,6,12-13H2,1-2H3,(H,21,24)/b10-9+