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

Systemtic Name: 4-[(4Z)-4-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-4-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-4-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-4-[4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C21H18BrN3O6 MolecularWeight: 488.28812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O6/c1-11-15(20(27)25(24-11)14-5-3-13(4-6-14)21(28)29)7-12-8-16(22)19(17(9-12)30-2)31-10-18(23)26/h3-9H,10H2,1-2H3,(H2,23,26)(H,28,29)/b15-7-