2-[2-(4-nitroimidazol-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-nitroimidazol-1-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-nitroimidazol-1-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(4-nitro-1-imidazolyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-nitroimidazol-1-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(4-nitroimidazol-1-yl)ethyl]-1,2-benzothiazol-3-one Formula: C12H10N4O5S MolecularWeight: 322.2966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5S/c17-12-9-3-1-2-4-10(9)22(20,21)15(12)6-5-14-7-11(13-8-14)16(18)19/h1-4,7-8H,5-6H2