[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20N2O5/c1-2-29-22-14-17(10-11-21(22)31-24(28)18-7-4-3-5-8-18)13-19(15-25)23(27)26-16-20-9-6-12-30-20/h3-14H,2,16H2,1H3,(H,26,27)/b19-13+