1-cyanoethyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: 1-cyanoethyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: 1-cyanoethyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid 1-cyanoethyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C#N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C#N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C17H16ClN3O2/c1-12(10-19)23-16(22)9-8-15-13(2)20-21(17(15)18)11-14-6-4-3-5-7-14/h3-9,12H,11H2,1-2H3/b9-8+