(E)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-(2-methylpropoxy)phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-N-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-N-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(2-methylpropoxy)phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isobutoxy-phenyl)-2-cyano-N-(3-nitrophenyl)acrylamide Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O4/c1-13(2)12-28-19-7-6-16(21)9-14(19)8-15(11-22)20(25)23-17-4-3-5-18(10-17)24(26)27/h3-10,13H,12H2,1-2H3,(H,23,25)/b15-8+