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

Systemtic Name: 2-[[1-(4-methylphenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 3-(4-nitrophenyl)-2-[[5-oxo-3-propyl-1-(p-tolyl)-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-methylphenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[5-keto-3-propyl-1-(p-tolyl)-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O5/c1-3-4-21-20(22(27)25(24-21)18-9-5-15(2)6-10-18)14-17(23(28)29)13-16-7-11-19(12-8-16)26(30)31/h5-13,20H,3-4,14H2,1-2H3,(H,28,29)