[4-(2-cyanophenyl)phenyl]methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C24H16N2O6 MolecularWeight: 428.39364

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O6/c25-13-19-3-1-2-4-20(19)17-7-5-16(6-8-17)14-30-24(27)10-9-18-11-22-23(32-15-31-22)12-21(18)26(28)29/h1-12H,14-15H2/b10-9+