3-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(E)-3-(2-furyl)prop-2-enylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[(E)-3-(2-furyl)prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C=C\C2=CC=CO2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H14N2O4/c1-12-16(9-3-7-15-8-4-10-24-15)17(21)20(19-12)14-6-2-5-13(11-14)18(22)23/h2-11H,1H3,(H,22,23)/b7-3+,16-9-