2-[(2S)-4-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-(2-azanyl-2-oxidanylidene-ethyl)-6-chloranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(2-amino-2-oxo-ethyl)-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(2-amino-2-oxoethyl)-6-chloro-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(2-amino-2-keto-ethyl)-6-chloro-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C12H11ClN2O5 MolecularWeight: 298.67914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C(=O)C(O2)CC(=O)O)CC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)N

InChI

InChI=1S/C12H11ClN2O5/c13-6-1-2-8-7(3-6)15(5-10(14)16)12(19)9(20-8)4-11(17)18/h1-3,9H,4-5H2,(H2,14,16)(H,17,18)/t9-/m0/s1