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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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