ethyl (E)-3-(5-chloranyl-1,3-diphenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-(5-chloranyl-1,3-diphenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-(5-chloro-1,3-diphenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-diphenyl-4-pyrazolyl)-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(5-chloro-1,3-diphenylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-diphenyl-pyrazol-4-yl)-2-cyano-acrylic acid ethyl ester Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)Cl)/C#N

InChI

InChI=1S/C21H16ClN3O2/c1-2-27-21(26)16(14-23)13-18-19(15-9-5-3-6-10-15)24-25(20(18)22)17-11-7-4-8-12-17/h3-13H,2H2,1H3/b16-13+