ethyl (Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (Z)-3-[3-(3-chloranyl-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-(3-chloro-4-ethoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H20ClN3O3/c1-3-29-21-11-10-16(13-20(21)24)22-18(12-17(14-25)23(28)30-4-2)15-27(26-22)19-8-6-5-7-9-19/h5-13,15H,3-4H2,1-2H3/b17-12-