5-chloranyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

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