[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H14BrN3O3 MolecularWeight: 364.19396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H14BrN3O3/c16-13-5-1-4-12(10-13)15(21)22-11-14(20)19(8-2-6-17)9-3-7-18/h1,4-5,10H,2-3,8-9,11H2