(2S)-2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(7-chloranyl-2-oxidanyl-4-oxidanylidene-chromen-3-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(7-chloro-2-hydroxy-4-oxo-chromene-3-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(7-chloro-2-hydroxy-4-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(7-chloro-2-hydroxy-4-oxochromene-3-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(7-chloro-2-hydroxy-4-keto-chromene-3-carbonyl)amino]propionic acid Formula: C13H10ClNO6 MolecularWeight: 311.6746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)Cl)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)Cl)O

InChI

InChI=1S/C13H10ClNO6/c1-5(12(18)19)15-11(17)9-10(16)7-3-2-6(14)4-8(7)21-13(9)20/h2-5,20H,1H3,(H,15,17)(H,18,19)/t5-/m0/s1