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

Systemtic Name: 2-[[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[3-ethyl-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[3-ethyl-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[3-ethyl-1-(4-fluorophenyl)-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C21H18FN3O5 MolecularWeight: 411.383123

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O5/c1-2-19-18(20(26)24(23-19)16-9-5-15(22)6-10-16)12-14(21(27)28)11-13-3-7-17(8-4-13)25(29)30/h3-11,18H,2,12H2,1H3,(H,27,28)