(E)-3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-cyano-N-(4-nitro-2-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-2-cyano-N-(4-nitro-2-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)-2-cyano-N-(2-hydroxy-4-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-cyano-N-(2-hydroxy-4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-2-cyano-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-ethoxy-phenyl)-2-cyano-N-(2-hydroxy-4-nitro-phenyl)acrylamide Formula: C25H20BrN3O6 MolecularWeight: 538.3468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H20BrN3O6/c1-2-34-23-12-17(11-20(26)24(23)35-15-16-6-4-3-5-7-16)10-18(14-27)25(31)28-21-9-8-19(29(32)33)13-22(21)30/h3-13,30H,2,15H2,1H3,(H,28,31)/b18-10+