2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]ethanoic acid

Systemtic Name: 2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]ethanoic acid Openeye Name: 2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]acetic acid CAS Name: 2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]acetic acid IUPAC Name: 2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]acetic acid Traditional Name: 2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]acetic acid Formula: C13H12BrNO5 MolecularWeight: 342.14208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC(=O)O)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC(=O)O)O)Br

InChI

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