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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(isopropoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(propan-2-yloxymethyl)-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-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(isopropoxymethyl)coumarilic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)OCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H20N2O5/c1-11(2)24-9-15-13-6-4-5-7-17(13)26-18(15)19(23)25-10-16(22)14(8-20)12(3)21/h4-7,11H,9-10,21H2,1-3H3/b14-12+