4-[(4Z)-4-[[4-(furan-2-ylcarbonyloxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[4-(furan-2-ylcarbonyloxy)-3-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[4-(furan-2-carbonyloxy)-3-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[4-[2-furanyl(oxo)methoxy]-3-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(2-furoyloxy)-3-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C24H18N2O7 MolecularWeight: 446.40892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O7/c1-14-18(22(27)26(25-14)17-8-6-16(7-9-17)23(28)29)12-15-5-10-19(21(13-15)31-2)33-24(30)20-4-3-11-32-20/h3-13H,1-2H3,(H,28,29)/b18-12-