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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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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)NC3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3CC3

InChI

InChI=1S/C20H18N2O4/c1-2-25-20(24)14-5-3-13(4-6-14)18-10-9-17(26-18)11-15(12-21)19(23)22-16-7-8-16/h3-6,9-11,16H,2,7-8H2,1H3,(H,22,23)/b15-11+