3-[(2S)-2-(carboxymethyl)-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2S)-2-(carboxymethyl)-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2S)-2-(carboxymethyl)-6-chloro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2S)-2-(carboxymethyl)-6-chloro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2S)-2-(carboxymethyl)-6-chloro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2S)-2-(carboxymethyl)-6-chloro-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C13H12ClNO6 MolecularWeight: 313.69048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C(=O)C(O2)CC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C(=O)[C@@H](O2)CC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H12ClNO6/c14-7-1-2-9-8(5-7)15(4-3-11(16)17)13(20)10(21-9)6-12(18)19/h1-2,5,10H,3-4,6H2,(H,16,17)(H,18,19)/t10-/m0/s1