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

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-15(2)30-22(27)17(13-23)12-18-14-25(19-6-4-3-5-7-19)24-21(18)16-8-10-20(11-9-16)26(28)29/h3-12,14-15H,1-2H3/b17-12+