[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(OC3=CC=CC=C32)C#N)OC)OC

InChI

InChI=1S/C21H18N2O7/c1-26-15-9-17(28-3)16(27-2)8-13(15)21(25)29-11-19(24)23-20-12-6-4-5-7-14(12)30-18(20)10-22/h4-9H,11H2,1-3H3,(H,23,24)