4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyrate Formula: C11H9N2O6- MolecularWeight: 265.19896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)[O-]

InChI

InChI=1S/C11H10N2O6/c14-10(15)2-1-5-12-8-4-3-7(13(17)18)6-9(8)19-11(12)16/h3-4,6H,1-2,5H2,(H,14,15)/p-1