2-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoic acid

Systemtic Name: 2-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]propanoic acid Openeye Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid CAS Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid IUPAC Name: 2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanoic acid Traditional Name: 2-[(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:

CC(C(=O)O)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)NC1=C(C=C2C(=C1)NC(=O)CO2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c1-5(11(16)17)12-6-2-7-9(3-8(6)14(18)19)20-4-10(15)13-7/h2-3,5,12H,4H2,1H3,(H,13,15)(H,16,17)