[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)methoxy]benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(2-bromophenyl)methoxy]benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(2-bromophenyl)methoxy]benzoate CAS Name: 2-[(2-bromophenyl)methoxy]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(2-bromophenyl)methoxy]benzoate Traditional Name: 2-(2-bromobenzyl)oxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC2=CC=CC=C2C(=O)OCC(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C22H20BrN3O4/c23-19-9-3-1-7-17(19)15-29-20-10-4-2-8-18(20)22(28)30-16-21(27)26(13-5-11-24)14-6-12-25/h1-4,7-10H,5-6,13-16H2