2-[(2S)-4-(2-azanyl-2-oxidanylidene-ethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-(2-azanyl-2-oxidanylidene-ethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(2-amino-2-oxo-ethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(2-amino-2-keto-ethyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)N

InChI

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