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

Systemtic Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]phenyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C#N

Isomeric SMILES

CNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C#N

InChI

InChI=1S/C21H20N2O6/c1-23-20(24)15(12-22)9-13-5-7-16(8-6-13)29-21(25)14-10-17(26-2)19(28-4)18(11-14)27-3/h5-11H,1-4H3,(H,23,24)/b15-9+