(E)-N-[2-(2-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(o-tolyl)ethyl]prop-2-enamide CAS Name: (E)-N-[2-(2-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(2-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-(o-tolyl)ethyl]acrylamide Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-14-4-2-3-5-15(14)8-9-21-19(23)7-6-16-10-18(22(24)25)11-17-12-26-13-27-20(16)17/h2-7,10-11H,8-9,12-13H2,1H3,(H,21,23)/b7-6+