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

Systemtic Name: (2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid CAS Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]butanoic acid IUPAC Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]butyric acid Formula: C14H15ClN2O5 MolecularWeight: 326.7323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C(=O)O)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O5/c1-2-9(14(20)21)16-12(18)6-17-10-5-8(15)3-4-11(10)22-7-13(17)19/h3-5,9H,2,6-7H2,1H3,(H,16,18)(H,20,21)/t9-/m0/s1