2-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoic acid

Systemtic Name: 2-(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoic acid Openeye Name: 2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid CAS Name: 2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid IUPAC Name: 2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid Traditional Name: 2-(2-keto-5-nitro-1,3-benzoxazol-3-yl)butyric acid Formula: C11H10N2O6 MolecularWeight: 266.2069

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCC(C(=O)O)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C11H10N2O6/c1-2-7(10(14)15)12-8-5-6(13(17)18)3-4-9(8)19-11(12)16/h3-5,7H,2H2,1H3,(H,14,15)