(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acrylamide Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC4=C(C(=C3)Cl)OCO4)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC4=C(C(=C3)Cl)OCO4)/C#N

InChI

InChI=1S/C22H17ClN4O4/c1-13-19(22(29)27(26(13)2)16-6-4-3-5-7-16)25-21(28)15(11-24)8-14-9-17(23)20-18(10-14)30-12-31-20/h3-10H,12H2,1-2H3,(H,25,28)/b15-8+