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

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-chloroethyl)amino]anilino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]glutaric acid Formula: C16H21Cl2N3O5 MolecularWeight: 406.26104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C16H21Cl2N3O5/c17-7-9-21(10-8-18)12-3-1-11(2-4-12)19-16(26)20-13(15(24)25)5-6-14(22)23/h1-4,13H,5-10H2,(H,22,23)(H,24,25)(H2,19,20,26)