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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NCCC#N)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3/c1-13-15(18(19)23(22-13)14-6-3-2-4-7-14)8-9-17(25)26-12-16(24)21-11-5-10-20/h2-4,6-9H,5,11-12H2,1H3,(H,21,24)/b9-8+