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

Systemtic Name: 2-chloranyl-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H12ClN3O5S/c1-24-9-6-12(25-2)14-13(7-9)26-16(18-14)19-15(21)10-4-3-8(20(22)23)5-11(10)17/h3-7H,1-2H3,(H,18,19,21)