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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-4-25-20(24)15-7-5-14(6-8-15)18-10-9-17(26-18)11-16(12-21)19(23)22-13(2)3/h5-11,13H,4H2,1-3H3,(H,22,23)/b16-11+