3-[[2-cyano-3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-(2-ethoxy-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[4-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(2-ethoxy-2-keto-ethoxy)-3-methoxy-phenyl]acryloyl]amino]benzoic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C22H20N2O7/c1-3-30-20(25)13-31-18-8-7-14(10-19(18)29-2)9-16(12-23)21(26)24-17-6-4-5-15(11-17)22(27)28/h4-11H,3,13H2,1-2H3,(H,24,26)(H,27,28)