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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-26-16-8-12(7-14(11-22)20(23)24)5-6-15(16)30-21(25)13-9-17(27-2)19(29-4)18(10-13)28-3/h5-10H,1-4H3,(H2,23,24)/b14-7+