N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-23-11-7-8-12(24-2)14-13(11)17-16(25-14)18-15(20)9-5-3-4-6-10(9)19(21)22/h3-8H,1-2H3,(H,17,18,20)