3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylamino]propanoic acid

Systemtic Name: 3-[(7-bromanyl-2-oxidanylidene-chromen-4-yl)methylamino]propanoic acid Openeye Name: 3-[(7-bromo-2-oxo-chromen-4-yl)methylamino]propanoic acid CAS Name: 3-[(7-bromo-2-oxo-1-benzopyran-4-yl)methylamino]propanoic acid IUPAC Name: 3-[(7-bromo-2-oxochromen-4-yl)methylamino]propanoic acid Traditional Name: 3-[(7-bromo-2-keto-chromen-4-yl)methylamino]propionic acid Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)OC(=O)C=C2CNCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)OC(=O)C=C2CNCCC(=O)O

InChI

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