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

Systemtic Name: 2-[[3-ethyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[3-ethyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[3-ethyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[3-ethyl-5-keto-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O5/c1-3-20-19(21(26)24(23-20)17-8-4-14(2)5-9-17)13-16(22(27)28)12-15-6-10-18(11-7-15)25(29)30/h4-12,19H,3,13H2,1-2H3,(H,27,28)