(2S)-2-azanyl-3-(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid Openeye Name: (2S)-2-amino-3-(6-chloro-7-hydroxy-2-oxo-chromen-4-yl)propanoic acid CAS Name: (2S)-2-amino-3-(6-chloro-7-hydroxy-2-oxo-1-benzopyran-4-yl)propanoic acid IUPAC Name: (2S)-2-amino-3-(6-chloro-7-hydroxy-2-oxochromen-4-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(6-chloro-7-hydroxy-2-keto-chromen-4-yl)propionic acid Formula: C12H10ClNO5 MolecularWeight: 283.6645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CC(C(=O)O)N

Isomeric SMILES

C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H10ClNO5/c13-7-3-6-5(1-8(14)12(17)18)2-11(16)19-10(6)4-9(7)15/h2-4,8,15H,1,14H2,(H,17,18)/t8-/m0/s1