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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H18N2O5/c1-13-5-3-4-6-15(13)11-20(2)19(22)8-7-14-9-17-18(26-12-25-17)10-16(14)21(23)24/h3-10H,11-12H2,1-2H3/b8-7+