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

Systemtic Name: (E)-3-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-2-cyano-N-(3-phenylpropyl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-cyano-N-(3-phenylpropyl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4,5-dihydroxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4,5-dihydroxy-phenyl)-2-cyano-N-(3-phenylpropyl)acrylamide Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(=CC2=CC(=C(C(=C2)Br)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)O)/C#N

InChI

InChI=1S/C19H17BrN2O3/c20-16-10-14(11-17(23)18(16)24)9-15(12-21)19(25)22-8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,23-24H,4,7-8H2,(H,22,25)/b15-9+