N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C17H15N3O5S MolecularWeight: 373.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-9-6-10(4-5-12(9)20(22)23)16(21)19-17-18-11-7-13(24-2)14(25-3)8-15(11)26-17/h4-8H,1-3H3,(H,18,19,21)