[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3,5-bis(chloranyl)-4-methoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3,5-dichloro-4-methoxy-benzoate CAS Name: 3,5-dichloro-4-methoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate Traditional Name: 3,5-dichloro-4-methoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12Cl2N2O4 MolecularWeight: 331.15138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C13H12Cl2N2O4/c1-20-12-9(14)5-8(6-10(12)15)13(19)21-7-11(18)17-4-2-3-16/h5-6H,2,4,7H2,1H3,(H,17,18)