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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-azanyl-3,5-bis(chloranyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-amino-3,5-dichloro-benzoate CAS Name: 2-amino-3,5-dichlorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate Traditional Name: 2-amino-3,5-dichloro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11Cl2N3O3 MolecularWeight: 316.14004

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N)C(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N)C(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C12H11Cl2N3O3/c13-7-4-8(11(16)9(14)5-7)12(19)20-6-10(18)17-3-1-2-15/h4-5H,1,3,6,16H2,(H,17,18)