2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[2-(methylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-[2-keto-2-(methylamino)ethyl]-1,4-benzoxazin-2-yl]acetic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

CNC(=O)CN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C13H14N2O5/c1-14-11(16)7-15-8-4-2-3-5-9(8)20-10(13(15)19)6-12(17)18/h2-5,10H,6-7H2,1H3,(H,14,16)(H,17,18)/t10-/m0/s1