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

Systemtic Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C16H13N3O4S MolecularWeight: 343.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-9-4-3-5-13-14(9)17-16(24-13)18-15(20)10-6-7-12(23-2)11(8-10)19(21)22/h3-8H,1-2H3,(H,17,18,20)