N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-nitrophenoxy)acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17N3O4S/c1-14-17(22-24-19-6-2-3-8-20(19)30-22)5-4-7-18(14)23-21(26)13-29-16-11-9-15(10-12-16)25(27)28/h2-12H,13H2,1H3,(H,23,26)