(E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)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(=C(C=C1)OC)CCNC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-14-3-5-19(27-2)15(9-14)7-8-22-20(24)6-4-16-10-18(23(25)26)11-17-12-28-13-29-21(16)17/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,22,24)/b6-4+