(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H14N2O6 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C=CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)/C=C/C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O6/c20-9-14-3-1-13(2-4-14)5-6-18(22)26-11-16-8-17(21(23)24)7-15-10-25-12-27-19(15)16/h1-8H,10-12H2/b6-5+