(E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O5/c1-12-5-13(2)7-16(6-12)20-18(22)4-3-14-8-17(21(23)24)9-15-10-25-11-26-19(14)15/h3-9H,10-11H2,1-2H3,(H,20,22)/b4-3+