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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)Cl)[N+](=O)[O-]

InChI

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