2-chloranyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H12ClN3O3S/c1-8-3-6-13-14(9(8)2)18-16(24-13)19-15(21)11-7-10(20(22)23)4-5-12(11)17/h3-7H,1-2H3,(H,18,19,21)