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

Systemtic Name: N-(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzamide CAS Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide IUPAC Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-benzamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O4S/c1-8-5-14-11(7-10(8)17)18-16(25-14)19-15(21)9-3-4-13(24-2)12(6-9)20(22)23/h3-7H,1-2H3,(H,18,19,21)