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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4,5-dimethoxy-2-nitro-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=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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