2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(6-nitro-4-oxo-quinazolin-3-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(6-nitro-4-oxo-3-quinazolinyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(6-nitro-4-oxoquinazolin-3-yl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-(4-keto-6-nitro-quinazolin-3-yl)ethyl]-1,2-benzothiazol-3-one Formula: C17H12N4O6S MolecularWeight: 400.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c22-16-13-9-11(21(24)25)5-6-14(13)18-10-19(16)7-8-20-17(23)12-3-1-2-4-15(12)28(20,26)27/h1-6,9-10H,7-8H2