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

Systemtic Name: 3-[(4Z)-4-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(3-bromo-4-methoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(3-bromo-4-methoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C19H15BrN2O4 MolecularWeight: 415.2374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O4/c1-11-15(8-12-6-7-17(26-2)16(20)9-12)18(23)22(21-11)14-5-3-4-13(10-14)19(24)25/h3-10H,1-2H3,(H,24,25)/b15-8-