ethyl 4-[(4-bromanyl-2-ethanoyl-7-methoxy-1-benzofuran-3-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-bromanyl-2-ethanoyl-7-methoxy-1-benzofuran-3-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2-acetyl-4-bromo-7-methoxy-benzofuran-3-yl)amino]-4-oxo-butanoate CAS Name: 4-[(2-acetyl-4-bromo-7-methoxy-3-benzofuranyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-acetyl-4-bromo-7-methoxy-1-benzofuran-3-yl)amino]-4-oxobutanoate Traditional Name: 4-[(2-acetyl-4-bromo-7-methoxy-benzofuran-3-yl)amino]-4-keto-butyric acid ethyl ester Formula: C17H18BrNO6 MolecularWeight: 412.23192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(OC2=C(C=CC(=C12)Br)OC)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(OC2=C(C=CC(=C12)Br)OC)C(=O)C

InChI

InChI=1S/C17H18BrNO6/c1-4-24-13(22)8-7-12(21)19-15-14-10(18)5-6-11(23-3)17(14)25-16(15)9(2)20/h5-6H,4,7-8H2,1-3H3,(H,19,21)