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

Systemtic Name: (E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-15-4-3-5-19(10-15)28-9-8-22(2)20(24)7-6-16-11-18(23(25)26)12-17-13-27-14-29-21(16)17/h3-7,10-12H,8-9,13-14H2,1-2H3/b7-6+