3-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]propanoic acid Openeye Name: 3-[(6-bromo-2H-chromene-3-carbonyl)amino]propanoic acid CAS Name: 3-[[(6-bromo-2H-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(6-bromo-2H-chromene-3-carbonyl)amino]propanoic acid Traditional Name: 3-[(6-bromo-2H-chromene-3-carbonyl)amino]propionic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)NCCC(=O)O

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)NCCC(=O)O

InChI

InChI=1S/C13H12BrNO4/c14-10-1-2-11-8(6-10)5-9(7-19-11)13(18)15-4-3-12(16)17/h1-2,5-6H,3-4,7H2,(H,15,18)(H,16,17)