7-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-[(4-methoxyphenyl)carbamoylamino]-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-[(4-methoxyphenyl)carbamoylamino]-1-benzofuran-2-carboxylic acid Openeye Name: 7-(4-bromo-2-methyl-pyrazol-3-yl)-5-[(4-methoxyphenyl)carbamoylamino]benzofuran-2-carboxylic acid CAS Name: 7-(4-bromo-2-methyl-3-pyrazolyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-benzofurancarboxylic acid IUPAC Name: 7-(4-bromo-2-methylpyrazol-3-yl)-5-[(4-methoxyphenyl)carbamoylamino]-1-benzofuran-2-carboxylic acid Traditional Name: 7-(4-bromo-2-methyl-pyrazol-3-yl)-5-[(4-methoxyphenyl)carbamoylamino]coumarilic acid Formula: C21H17BrN4O5 MolecularWeight: 485.28748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=C3C(=CC(=C2)NC(=O)NC4=CC=C(C=C4)OC)C=C(O3)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=C3C(=CC(=C2)NC(=O)NC4=CC=C(C=C4)OC)C=C(O3)C(=O)O

InChI

InChI=1S/C21H17BrN4O5/c1-26-18(16(22)10-23-26)15-9-13(7-11-8-17(20(27)28)31-19(11)15)25-21(29)24-12-3-5-14(30-2)6-4-12/h3-10H,1-2H3,(H,27,28)(H2,24,25,29)