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

Systemtic Name: ethyl (Z)-2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[3-(4-methoxy-3-nitro-phenyl)-1-phenyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CN(N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H18N4O5/c1-3-31-22(27)16(13-23)11-17-14-25(18-7-5-4-6-8-18)24-21(17)15-9-10-20(30-2)19(12-15)26(28)29/h4-12,14H,3H2,1-2H3/b16-11-