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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

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