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

Systemtic Name: 3-[(4E)-4-[[5-bromanyl-2-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4E)-4-[[2-(2-anilino-2-oxo-ethoxy)-5-bromo-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4E)-4-[[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4E)-4-[[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4E)-4-[2-(2-anilino-2-keto-ethoxy)-5-bromo-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C26H20BrN3O5 MolecularWeight: 534.3581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C=CC(=C2)Br)OCC(=O)NC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H20BrN3O5/c1-16-22(25(32)30(29-16)21-9-5-6-17(13-21)26(33)34)14-18-12-19(27)10-11-23(18)35-15-24(31)28-20-7-3-2-4-8-20/h2-14H,15H2,1H3,(H,28,31)(H,33,34)/b22-14+