(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N)C

InChI

InChI=1S/C19H15N3O5/c1-11-3-12(2)5-15(4-11)21-19(23)14(9-20)6-13-7-17-18(27-10-26-17)8-16(13)22(24)25/h3-8H,10H2,1-2H3,(H,21,23)/b14-6+