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

Systemtic Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3,5-dimethylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c1-11-5-12(2)7-14(6-11)19-18(21)4-3-13-8-16-17(25-10-24-16)9-15(13)20(22)23/h3-9H,10H2,1-2H3,(H,19,21)/b4-3+