[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2=CC=CC=C2Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2=CC=CC=C2Cl)OC

InChI

InChI=1S/C21H20ClN3O6/c1-29-17-10-14(21(28)31-12-19(26)24-9-5-8-23)16(11-18(17)30-2)25-20(27)13-6-3-4-7-15(13)22/h3-4,6-7,10-11H,5,9,12H2,1-2H3,(H,24,26)(H,25,27)