2-[[bis(2-bromoethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid

Systemtic Name: 2-[[bis(2-bromoethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid Openeye Name: 2-[[bis(2-bromoethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid CAS Name: 2-[[bis(2-bromoethyl)amino]-[oxo(phenoxy)methyl]amino]pentanedioic acid IUPAC Name: 2-[[bis(2-bromoethyl)amino]-phenoxycarbonylamino]pentanedioic acid Traditional Name: 2-[[bis(2-bromoethyl)amino]-carbophenoxy-amino]glutaric acid Formula: C16H20Br2N2O6 MolecularWeight: 496.1478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)N(C(CCC(=O)O)C(=O)O)N(CCBr)CCBr

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)N(C(CCC(=O)O)C(=O)O)N(CCBr)CCBr

InChI

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