methyl 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CC2)OCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2CC2)OCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-26-19-10-13(9-14(11-22)20(24)23-15-4-5-15)3-7-17(19)28-12-16-6-8-18(29-16)21(25)27-2/h3,6-10,15H,4-5,12H2,1-2H3,(H,23,24)/b14-9+