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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-14-18(15(2)25(24-14)17-9-7-6-8-10-17)11-16(12-22)20(27)28-13-19(26)23-21(3,4)5/h6-11H,13H2,1-5H3,(H,23,26)/b16-11+