2-[[4-[bis(2-bromoethyl)amino]phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-bromoethyl)amino]phenoxy]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-bromoethyl)amino]phenoxy]carbonylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-bromoethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-bromoethyl)amino]phenoxy]carbonylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-bromoethyl)amino]phenoxy]carbonylamino]glutaric acid Formula: C16H20Br2N2O6 MolecularWeight: 496.1478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1N(CCBr)CCBr)OC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H20Br2N2O6/c17-7-9-20(10-8-18)11-1-3-12(4-2-11)26-16(25)19-13(15(23)24)5-6-14(21)22/h1-4,13H,5-10H2,(H,19,25)(H,21,22)(H,23,24)