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

Systemtic Name: (E)-N-(2-bromanyl-4-nitro-phenyl)-2-cyano-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-ethoxy-phenyl)-N-(2-bromo-4-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(2-bromo-4-nitrophenyl)-2-cyano-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)-N-(2-bromo-4-nitro-phenyl)-2-cyano-acrylamide Formula: C25H20BrN3O5 MolecularWeight: 522.3474

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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-])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-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H20BrN3O5/c1-2-33-24-13-18(8-11-23(24)34-16-17-6-4-3-5-7-17)12-19(15-27)25(30)28-22-10-9-20(29(31)32)14-21(22)26/h3-14H,2,16H2,1H3,(H,28,30)/b19-12+