ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H19N3O4/c1-2-29-23(28)18-7-5-17(6-8-18)21-10-9-20(30-21)12-19(13-24)22(27)26-15-16-4-3-11-25-14-16/h3-12,14H,2,15H2,1H3,(H,26,27)/b19-12+