4-[(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[[5-(4-bromophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H15BrN2O4/c1-13-19(12-18-10-11-20(29-18)14-2-6-16(23)7-3-14)21(26)25(24-13)17-8-4-15(5-9-17)22(27)28/h2-12H,1H3,(H,27,28)/b19-12+