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

Systemtic Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-methoxy-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)9-13-5-7-17(18(10-13)27-3)29-21(25)14-6-8-16(26-2)19(11-14)28-4/h5-11H,1-4H3,(H,23,24)/b15-9+