4-[(4E)-4-[[4-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[4-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[4-(carboxymethyloxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[4-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[4-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[4-(carboxymethyloxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H16N2O6 MolecularWeight: 380.35084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6/c1-12-17(10-13-2-8-16(9-3-13)28-11-18(23)24)19(25)22(21-12)15-6-4-14(5-7-15)20(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b17-10+