4-[(4Z)-4-[[5-bromanyl-2-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4Z)-4-[[5-bromanyl-2-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[5-bromo-2-(carboxymethyloxy)phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[5-bromo-2-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[5-bromo-2-(carboxymethyloxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[5-bromo-2-(carboxymethyloxy)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H15BrN2O6 MolecularWeight: 459.2469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O6/c1-11-16(9-13-8-14(21)4-7-17(13)29-10-18(24)25)19(26)23(22-11)15-5-2-12(3-6-15)20(27)28/h2-9H,10H2,1H3,(H,24,25)(H,27,28)/b16-9-