[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H13BrClN3O3 MolecularWeight: 398.63902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC(=O)N(CCC#N)CCC#N)Cl

InChI

InChI=1S/C15H13BrClN3O3/c16-11-3-4-13(17)12(9-11)15(22)23-10-14(21)20(7-1-5-18)8-2-6-19/h3-4,9H,1-2,7-8,10H2