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

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-cyano-N-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,5-dibromo-4-hydroxy-phenyl)-N-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,5-dibromo-4-hydroxy-phenyl)-N-(3-nitrophenyl)acrylamide Formula: C16H9Br2N3O4 MolecularWeight: 467.06836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H9Br2N3O4/c17-13-5-9(6-14(18)15(13)22)4-10(8-19)16(23)20-11-2-1-3-12(7-11)21(24)25/h1-7,22H,(H,20,23)/b10-4+