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

Systemtic Name: ethyl 4-[5-[3-(tert-butylamino)-2-cyano-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[3-(tert-butylamino)-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[3-(tert-butylamino)-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-5-26-20(25)15-8-6-14(7-9-15)18-11-10-17(27-18)12-16(13-22)19(24)23-21(2,3)4/h6-12H,5H2,1-4H3,(H,23,24)