methyl 4-[[2-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)NCC=C

InChI

InChI=1S/C22H20N2O4/c1-3-12-24-21(25)19(14-23)13-18-6-4-5-7-20(18)28-15-16-8-10-17(11-9-16)22(26)27-2/h3-11,13H,1,12,15H2,2H3,(H,24,25)