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

Systemtic Name: 4-[(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]butanoic acid Openeye Name: 4-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]butanoic acid CAS Name: 4-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]butanoic acid IUPAC Name: 4-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]butanoic acid Traditional Name: 4-[(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)amino]butyric acid Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c16-11-6-21-10-5-9(15(19)20)7(4-8(10)14-11)13-3-1-2-12(17)18/h4-5,13H,1-3,6H2,(H,14,16)(H,17,18)