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

Systemtic Name: 3-[(4Z)-4-(furan-2-ylmethylidene)-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-(2-furylmethylene)-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-(2-furanylmethylidene)-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-(furan-2-ylmethylidene)-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(2-furfurylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4/c1-10-14(9-13-6-3-7-22-13)15(19)18(17-10)12-5-2-4-11(8-12)16(20)21/h2-9H,1H3,(H,20,21)/b14-9-