(E)-3-azanyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[4-(phenylcarbonyl)phenoxy]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4-benzoylphenoxy)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(4-benzoylphenoxy)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4-benzoylphenoxy)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(4-benzoylphenoxy)acetyl]but-2-enenitrile Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)/N

InChI

InChI=1S/C19H16N2O3/c1-13(21)17(11-20)18(22)12-24-16-9-7-15(8-10-16)19(23)14-5-3-2-4-6-14/h2-10H,12,21H2,1H3/b17-13+