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

Systemtic Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-13-3-5-17(26-2)15(9-13)7-8-21-20(23)6-4-14-10-18-19(28-12-27-18)11-16(14)22(24)25/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)/b6-4+