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

Systemtic Name: (2S)-2-[2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]pentanoate Openeye Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoate CAS Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]pentanoate IUPAC Name: (2S)-2-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)acetyl]amino]valerate Formula: C15H16ClN2O5- MolecularWeight: 339.75094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O5/c1-2-3-10(15(21)22)17-13(19)7-18-11-6-9(16)4-5-12(11)23-8-14(18)20/h4-6,10H,2-3,7-8H2,1H3,(H,17,19)(H,21,22)/p-1/t10-/m0/s1