2-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]glutaric acid Formula: C16H20Cl2N2O5 MolecularWeight: 391.2464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C16H20Cl2N2O5/c17-7-9-20(10-8-18)12-3-1-11(2-4-12)15(23)19-13(16(24)25)5-6-14(21)22/h1-4,13H,5-10H2,(H,19,23)(H,21,22)(H,24,25)