4-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(4-allyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(4-prop-2-enoxyphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(4-prop-2-enoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(4-allyloxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H16N2O4/c1-2-11-26-18-9-3-14(4-10-18)12-16(13-21)19(23)22-17-7-5-15(6-8-17)20(24)25/h2-10,12H,1,11H2,(H,22,23)(H,24,25)/b16-12+