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

Systemtic Name: (E)-N-[(4-methylphenyl)methyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(p-tolylmethyl)prop-2-enamide CAS Name: (E)-N-[(4-methylphenyl)methyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[(4-methylphenyl)methyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-methylbenzyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-13-2-4-14(5-3-13)10-20-18(22)7-6-15-8-17(21(23)24)9-16-11-25-12-26-19(15)16/h2-9H,10-12H2,1H3,(H,20,22)/b7-6+