2-(4-aminophenyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 2-(4-aminophenyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 2-(4-aminophenyl)ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-(4-aminophenyl)ethyl ester IUPAC Name: 2-(4-aminophenyl)ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 2-(4-aminophenyl)ethyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)N

Isomeric SMILES

C1=CC(=CC=C1CCOC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N)N

InChI

InChI=1S/C18H16N2O4/c19-11-14(9-13-3-6-16(21)17(22)10-13)18(23)24-8-7-12-1-4-15(20)5-2-12/h1-6,9-10,21-22H,7-8,20H2/b14-9+