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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(2-pyridylmethylamino)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(2-pyridinylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(pyridin-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-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=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C23H19N3O4/c1-2-29-23(28)17-8-6-16(7-9-17)21-11-10-20(30-21)13-18(14-24)22(27)26-15-19-5-3-4-12-25-19/h3-13H,2,15H2,1H3,(H,26,27)/b18-13+