(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-N-(2-phenoxyphenyl)acrylamide Formula: C23H15N3O6 MolecularWeight: 429.3817

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O6/c24-13-16(10-15-11-21-22(31-14-30-21)12-19(15)26(28)29)23(27)25-18-8-4-5-9-20(18)32-17-6-2-1-3-7-17/h1-12H,14H2,(H,25,27)/b16-10+