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

Systemtic Name: 3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]propanoic acid Openeye Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]propionic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NCCC(=O)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NCCC(=O)O

InChI

InChI=1S/C13H13ClN2O5/c14-8-1-2-10-9(5-8)16(12(18)7-21-10)6-11(17)15-4-3-13(19)20/h1-2,5H,3-4,6-7H2,(H,15,17)(H,19,20)