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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7/c1-3-30-19-10-14(7-8-18(19)31-13-20(25)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)