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

Systemtic Name: (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide Formula: C34H28N4O6 MolecularWeight: 588.60932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N.C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N.C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N

InChI

InChI=1S/2C17H14N2O3/c2*18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h2*1-9,20-21H,11H2,(H,19,22)/b2*14-8+