N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethyl-but-1-en-2-yl]-4-chloranyl-2-fluoranyl-5-methoxy-benzamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethyl-but-1-en-2-yl]-4-chloranyl-2-fluoranyl-5-methoxy-benzamide Openeye Name: N-[(1E)-1-[1,3-benzodioxol-5-yl(cyano)methylene]-2,2-dimethyl-propyl]-4-chloro-2-fluoro-5-methoxy-benzamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-4-chloro-2-fluoro-5-methoxybenzamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-4-chloro-2-fluoro-5-methoxybenzamide Traditional Name: N-[(E)-2-(1,3-benzodioxol-5-yl)-1-tert-butyl-2-cyano-vinyl]-4-chloro-2-fluoro-5-methoxy-benzamide Formula: C22H20ClFN2O4 MolecularWeight: 430.856603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3F)Cl)OC

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC(=C(C=C3F)Cl)OC

InChI

InChI=1S/C22H20ClFN2O4/c1-22(2,3)20(14(10-25)12-5-6-17-19(7-12)30-11-29-17)26-21(27)13-8-18(28-4)15(23)9-16(13)24/h5-9H,11H2,1-4H3,(H,26,27)/b20-14-