N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethyl-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethyl-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethyl-benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2,4-dimethyl-benzamide Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C17H15N3O4S/c1-9-4-5-12(10(2)6-9)16(21)19-17-18-15-13(24-3)7-11(20(22)23)8-14(15)25-17/h4-8H,1-3H3,(H,18,19,21)