2-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid

Systemtic Name: 2-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13-3-7-17(8-4-13)23-20(25)19(14(2)22-23)12-16(21(26)27)11-15-5-9-18(10-6-15)24(28)29/h3-11,19H,12H2,1-2H3,(H,26,27)