N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-phenoxy-ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-phenoxy-acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2-phenoxyacetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-2-phenoxyacetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-2-phenoxy-acetamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4S/c25-20(13-28-15-6-2-1-3-7-15)22-18-12-14(24(26)27)10-11-16(18)21-23-17-8-4-5-9-19(17)29-21/h1-12H,13H2,(H,22,25)