3-[(4E)-4-[[2,3-bis(bromanyl)-4,5-dimethoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4E)-4-[[2,3-bis(bromanyl)-4,5-dimethoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[(2,3-dibromo-4,5-dimethoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[(2,3-dibromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[(2,3-dibromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-(2,3-dibromo-4,5-dimethoxy-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C20H16Br2N2O5 MolecularWeight: 524.15944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2Br)Br)OC)OC)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2Br)Br)OC)OC)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H16Br2N2O5/c1-10-14(8-12-9-15(28-2)18(29-3)17(22)16(12)21)19(25)24(23-10)13-6-4-5-11(7-13)20(26)27/h4-9H,1-3H3,(H,26,27)/b14-8+