(2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]propanoic acid

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]propanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]propanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]propionic acid Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

Isomeric SMILES

C[C@@H](C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O

InChI

InChI=1S/C13H12BrNO5/c1-6(12(17)18)15-5-8-10(16)3-2-7-4-9(14)13(19)20-11(7)8/h2-4,6,15-16H,5H2,1H3,(H,17,18)/t6-/m0/s1