methyl 4-(3-azanyl-5-bromanyl-1-benzofuran-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-azanyl-5-bromanyl-1-benzofuran-2-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(3-amino-5-bromo-benzofuran-2-yl)-4-oxo-butanoate CAS Name: 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-amino-5-bromo-1-benzofuran-2-yl)-4-oxobutanoate Traditional Name: 4-(3-amino-5-bromo-benzofuran-2-yl)-4-keto-butyric acid methyl ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N

Isomeric SMILES

COC(=O)CCC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N

InChI

InChI=1S/C13H12BrNO4/c1-18-11(17)5-3-9(16)13-12(15)8-6-7(14)2-4-10(8)19-13/h2,4,6H,3,5,15H2,1H3