N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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