(E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C23H19N5O5/c1-14-18(15(2)27(26-14)17-6-4-3-5-7-17)10-16(13-24)23(29)25-19-11-21-22(33-9-8-32-21)12-20(19)28(30)31/h3-7,10-12H,8-9H2,1-2H3,(H,25,29)/b16-10+