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

Systemtic Name: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[(3-bromophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[(3-bromophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-(3-bromobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H13BrN2O3 MolecularWeight: 385.21142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O3/c1-11-16(9-12-4-2-6-14(19)8-12)17(22)21(20-11)15-7-3-5-13(10-15)18(23)24/h2-10H,1H3,(H,23,24)/b16-9-