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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-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-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H18N2O5/c1-3-23-9-14-12-6-4-5-7-16(12)25-17(14)18(22)24-10-15(21)13(8-19)11(2)20/h4-7H,3,9-10,20H2,1-2H3/b13-11+