4-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid

Systemtic Name: 4-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)butanoic acid Openeye Name: 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoic acid CAS Name: 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)butanoic acid Traditional Name: 4-(3-keto-5-nitro-1,2-benzothiazol-2-yl)butyric acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(S2)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(S2)CCCC(=O)O

InChI

InChI=1S/C11H10N2O5S/c14-10(15)2-1-5-12-11(16)8-6-7(13(17)18)3-4-9(8)19-12/h3-4,6H,1-2,5H2,(H,14,15)