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

Systemtic Name: 3-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl-methyl-amino]propanoic acid Openeye Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methyl-amino]propanoic acid CAS Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-methylamino]propanoic acid IUPAC Name: 3-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]-methylamino]propanoic acid Traditional Name: 3-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]-methyl-amino]propionic acid Formula: C14H15ClN2O5 MolecularWeight: 326.7323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

Isomeric SMILES

CN(CCC(=O)O)C(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O5/c1-16(5-4-14(20)21)12(18)7-17-10-6-9(15)2-3-11(10)22-8-13(17)19/h2-3,6H,4-5,7-8H2,1H3,(H,20,21)