prop-2-enyl (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid allyl ester Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4/c1-2-12-30-22(27)17(14-23)13-18-15-25(19-6-4-3-5-7-19)24-21(18)16-8-10-20(11-9-16)26(28)29/h2-11,13,15H,1,12H2/b17-13+