(E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isopentyloxy-phenyl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isoamoxy-phenyl)-2-cyano-N-(4-nitrophenyl)acrylamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O4/c1-14(2)9-10-29-20-8-3-17(22)12-15(20)11-16(13-23)21(26)24-18-4-6-19(7-5-18)25(27)28/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,26)/b16-11+