2-[2-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-nitro-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[2-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-nitro-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[2-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-4-nitro-phenoxy]-N-phenyl-acetamide CAS Name: 2-[2-[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]-4-nitrophenoxy]-N-phenylacetamide IUPAC Name: 2-[2-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-4-nitrophenoxy]-N-phenylacetamide Traditional Name: 2-[2-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-4-nitro-phenoxy]-N-phenyl-acetamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)NC3=CC=CC=C3)/C#N

InChI

InChI=1S/C21H16N4O4S/c1-14-13-30-21(23-14)16(11-22)9-15-10-18(25(27)28)7-8-19(15)29-12-20(26)24-17-5-3-2-4-6-17/h2-10,13H,12H2,1H3,(H,24,26)/b16-9+