N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-3,4-dimethoxy-benzamide Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H17N3O5S/c1-29-18-10-7-13(11-19(18)30-2)21(26)23-17-12-14(25(27)28)8-9-15(17)22-24-16-5-3-4-6-20(16)31-22/h3-12H,1-2H3,(H,23,26)