3-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoic acid

Systemtic Name: 3-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoic acid Openeye Name: 3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid CAS Name: 3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid IUPAC Name: 3-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid Traditional Name: 3-[(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)amino]propionic acid Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C11H11N3O6/c15-10-5-20-9-4-8(14(18)19)6(3-7(9)13-10)12-2-1-11(16)17/h3-4,12H,1-2,5H2,(H,13,15)(H,16,17)