7-methyl-4-nitro-3H-1,3-benzothiazol-2-one

Systemtic Name: 7-methyl-4-nitro-3H-1,3-benzothiazol-2-one Openeye Name: 7-methyl-4-nitro-3H-1,3-benzothiazol-2-one CAS Name: 7-methyl-4-nitro-3H-1,3-benzothiazol-2-one IUPAC Name: 7-methyl-4-nitro-3H-1,3-benzothiazol-2-one Traditional Name: 7-methyl-4-nitro-3H-1,3-benzothiazol-2-one Formula: C8H6N2O3S MolecularWeight: 210.20984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=O)S2

Isomeric SMILES

CC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=O)S2

InChI

InChI=1S/C8H6N2O3S/c1-4-2-3-5(10(12)13)6-7(4)14-8(11)9-6/h2-3H,1H3,(H,9,11)