2-[6-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 2-[6-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 2-(1,1,3-triketo-6-nitro-1,2-benzothiazol-2-yl)propionic acid Formula: C10H8N2O7S MolecularWeight: 300.24472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O7S/c1-5(10(14)15)11-9(13)7-3-2-6(12(16)17)4-8(7)20(11,18)19/h2-5H,1H3,(H,14,15)