[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2,6-dimethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2,6-dimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2OC)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=C(C=CC=C2OC)OC)/C#N

InChI

InChI=1S/C22H22N2O6/c1-27-12-11-24-21(25)16(14-23)13-15-7-9-17(10-8-15)30-22(26)20-18(28-2)5-4-6-19(20)29-3/h4-10,13H,11-12H2,1-3H3,(H,24,25)/b16-13+