[2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(4-methylphenyl)-5-propan-2-yl-pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(4-methylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propan-2-ylpyrazol-3-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [5-isopropyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-15(2)20-14-21(24(23-20)18-9-4-16(3)5-10-18)29-22(26)13-8-17-6-11-19(12-7-17)25(27)28/h4-15H,1-3H3/b13-8+