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

Systemtic Name: ethyl (Z)-3-[3-(3-chloranyl-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (Z)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[3-(3-chloro-4-propoxyphenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[3-(3-chloro-4-propoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OCC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C(=O)OCC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H22ClN3O3/c1-3-12-31-22-11-10-17(14-21(22)25)23-19(13-18(15-26)24(29)30-4-2)16-28(27-23)20-8-6-5-7-9-20/h5-11,13-14,16H,3-4,12H2,1-2H3/b18-13-