[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-methoxy-phenyl] 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)NCC2CCCO2)OC(=O)C3=CC=CO3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C21H20N2O6/c1-26-19-11-14(6-7-17(19)29-21(25)18-5-3-9-28-18)10-15(12-22)20(24)23-13-16-4-2-8-27-16/h3,5-7,9-11,16H,2,4,8,13H2,1H3,(H,23,24)/b15-10+