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

Systemtic Name: 4-[(4Z)-3-methyl-5-oxidanylidene-4-[[5-(4-prop-2-enoxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[5-(4-allyloxycarbonylphenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-5-oxo-4-[[5-[4-[oxo(prop-2-enoxy)methyl]phenyl]-2-furanyl]methylidene]-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-5-oxo-4-[[5-(4-prop-2-enoxycarbonylphenyl)furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[[5-(4-allyloxycarbonylphenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC=C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC=C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H20N2O6/c1-3-14-33-26(32)19-6-4-17(5-7-19)23-13-12-21(34-23)15-22-16(2)27-28(24(22)29)20-10-8-18(9-11-20)25(30)31/h3-13,15H,1,14H2,2H3,(H,30,31)/b22-15-