(E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenyl-prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenyl-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylprop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenyl-acrylamide Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C18H13N3O5/c19-11-13(8-12-4-2-1-3-5-12)18(22)20-14-9-16-17(26-7-6-25-16)10-15(14)21(23)24/h1-5,8-10H,6-7H2,(H,20,22)/b13-8+