[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3/c13-8-2-3-9(10(15)6-8)12(18)19-7-11(17)16-5-1-4-14/h2-3,6H,1,5,7,15H2,(H,16,17)