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

Systemtic Name: methyl 5-[[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C18H16N2O6/c1-23-16-8-11(7-12(9-19)17(20)21)3-5-14(16)25-10-13-4-6-15(26-13)18(22)24-2/h3-8H,10H2,1-2H3,(H2,20,21)/b12-7+