[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)/N

InChI

InChI=1S/C22H18N2O5/c1-14(24)17(11-23)19(25)13-28-22(26)21-18(12-27-15-7-3-2-4-8-15)16-9-5-6-10-20(16)29-21/h2-10H,12-13,24H2,1H3/b17-14+