(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-m-anisoyl-acrylonitrile Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C2=CC(=CC=C2)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H16ClN3O2/c1-14-19(21(22)25(24-14)17-8-4-3-5-9-17)12-16(13-23)20(26)15-7-6-10-18(11-15)27-2/h3-12H,1-2H3/b16-12+