N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzamide Formula: C15H9Cl2N3O4S MolecularWeight: 398.22066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9Cl2N3O4S/c1-24-10-4-2-7(6-9(10)20(22)23)14(21)19-15-18-13-11(25-15)5-3-8(16)12(13)17/h2-6H,1H3,(H,18,19,21)