[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[(3-bromophenyl)methoxy]benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-[(3-bromophenyl)methoxy]benzoate CAS Name: 2-[(3-bromophenyl)methoxy]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(3-bromophenyl)methoxy]benzoate Traditional Name: 2-(3-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)C(=O)OCC(=O)N(CCC#N)CCC#N)OCC2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N)OCC2=CC(=CC=C2)Br

InChI

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