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

Systemtic Name: 4-(3-azanyl-5-bromanyl-1-benzofuran-2-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(3-amino-5-bromo-benzofuran-2-yl)-4-oxo-butanoate CAS Name: 4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoate IUPAC Name: 4-(3-amino-5-bromo-1-benzofuran-2-yl)-4-oxobutanoate Traditional Name: 4-(3-amino-5-bromo-benzofuran-2-yl)-4-keto-butyrate Formula: C12H9BrNO4- MolecularWeight: 311.10816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=C(O2)C(=O)CCC(=O)[O-])N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=C(O2)C(=O)CCC(=O)[O-])N

InChI

InChI=1S/C12H10BrNO4/c13-6-1-3-9-7(5-6)11(14)12(18-9)8(15)2-4-10(16)17/h1,3,5H,2,4,14H2,(H,16,17)/p-1