2-[(2S)-6-chloranyl-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-6-chloranyl-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-chloro-4-[2-(methylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-chloro-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-chloro-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-6-chloro-3-keto-4-[2-keto-2-(methylamino)ethyl]-1,4-benzoxazin-2-yl]acetate Formula: C13H12ClN2O5- MolecularWeight: 311.69778

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CNC(=O)CN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C13H13ClN2O5/c1-15-11(17)6-16-8-4-7(14)2-3-9(8)21-10(13(16)20)5-12(18)19/h2-4,10H,5-6H2,1H3,(H,15,17)(H,18,19)/p-1/t10-/m0/s1