[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC=C)OC

InChI

InChI=1S/C24H24N2O7/c1-6-9-26-23(27)17(14-25)10-15-7-8-18(19(11-15)29-2)33-24(28)16-12-20(30-3)22(32-5)21(13-16)31-4/h6-8,10-13H,1,9H2,2-5H3,(H,26,27)