4-[2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[4-(2-amino-2-oxo-ethoxy)-3-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[4-(2-amino-2-keto-ethoxy)-3-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-2-26-18-10-13(3-8-17(18)27-12-19(22)23)9-16(11-21)14-4-6-15(7-5-14)20(24)25/h3-10H,2,12H2,1H3,(H2,22,23)(H,24,25)