2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioic acid

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioic acid Openeye Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid CAS Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid IUPAC Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioic acid Traditional Name: 2-(3-keto-6-nitro-1,2-benzothiazol-2-yl)glutaric acid Formula: C12H10N2O7S MolecularWeight: 326.282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SN(C2=O)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SN(C2=O)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O7S/c15-10(16)4-3-8(12(18)19)13-11(17)7-2-1-6(14(20)21)5-9(7)22-13/h1-2,5,8H,3-4H2,(H,15,16)(H,18,19)