ethyl 7-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-(2-methylpropoxycarbonylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 7-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-(2-methylpropoxycarbonylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 7-(4-bromo-2-methyl-pyrazol-3-yl)-5-(isobutoxycarbonylamino)benzofuran-2-carboxylate CAS Name: 7-(4-bromo-2-methyl-3-pyrazolyl)-5-[[2-methylpropoxy(oxo)methyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-bromo-2-methylpyrazol-3-yl)-5-(2-methylpropoxycarbonylamino)-1-benzofuran-2-carboxylate Traditional Name: 7-(4-bromo-2-methyl-pyrazol-3-yl)-5-(isobutoxycarbonylamino)coumarilic acid ethyl ester Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC(=CC(=C2O1)C3=C(C=NN3C)Br)NC(=O)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=CC(=CC(=C2O1)C3=C(C=NN3C)Br)NC(=O)OCC(C)C

InChI

InChI=1S/C20H22BrN3O5/c1-5-27-19(25)16-7-12-6-13(23-20(26)28-10-11(2)3)8-14(18(12)29-16)17-15(21)9-22-24(17)4/h6-9,11H,5,10H2,1-4H3,(H,23,26)