[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)C(C#N)C(=C)N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)[C@@H](C#N)C(=C)N

InChI

InChI=1S/C17H16N2O5/c1-9-12-6-11(22-3)4-5-15(12)24-16(9)17(21)23-8-14(20)13(7-18)10(2)19/h4-6,13H,2,8,19H2,1,3H3/t13-/m0/s1