[2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H21N3O4/c1-18-7-6-10-24(19(18)2)28-25(17-23(27-28)21-8-4-3-5-9-21)33-26(30)16-13-20-11-14-22(15-12-20)29(31)32/h3-17H,1-2H3/b16-13+