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

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)pentanedioate Openeye Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioate CAS Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioate IUPAC Name: 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)pentanedioate Traditional Name: 2-(3-keto-6-nitro-1,2-benzothiazol-2-yl)glutarate Formula: C12H8N2O7S-2 MolecularWeight: 324.26612

Click to see the large picture

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)/p-2