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

Systemtic Name: 2-[(2S)-4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(2-amino-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(2-amino-2-keto-ethyl)-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)N

InChI

InChI=1S/C12H12N2O5/c13-10(15)6-14-7-3-1-2-4-8(7)19-9(12(14)18)5-11(16)17/h1-4,9H,5-6H2,(H2,13,15)(H,16,17)/t9-/m0/s1