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

Systemtic Name: (E)-N-(2-ethyl-6-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-ethyl-6-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-ethyl-6-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-ethyl-6-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-ethyl-6-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C19H18N2O5/c1-3-13-6-4-5-12(2)19(13)20-18(22)8-7-14-9-16-17(26-11-25-16)10-15(14)21(23)24/h4-10H,3,11H2,1-2H3,(H,20,22)/b8-7+