(E)-N-(4-bromanyl-3-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-3-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-bromo-3-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-bromo-3-methylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-bromo-3-methylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-bromo-3-methyl-phenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O5/c1-11-6-14(3-4-16(11)19)20-17(22)5-2-12-7-15(21(23)24)8-13-9-25-10-26-18(12)13/h2-8H,9-10H2,1H3,(H,20,22)/b5-2+