2-[bis(2-chloroethyl)amino-[2,3,5-tris(fluoranyl)phenyl]carbonyl-amino]pentanedioic acid

Systemtic Name: 2-[bis(2-chloroethyl)amino-[2,3,5-tris(fluoranyl)phenyl]carbonyl-amino]pentanedioic acid Openeye Name: 2-[bis(2-chloroethyl)amino-(2,3,5-trifluorobenzoyl)amino]pentanedioic acid CAS Name: 2-[bis(2-chloroethyl)amino-[oxo-(2,3,5-trifluorophenyl)methyl]amino]pentanedioic acid IUPAC Name: 2-[bis(2-chloroethyl)amino-(2,3,5-trifluorobenzoyl)amino]pentanedioic acid Traditional Name: 2-[bis(2-chloroethyl)amino-(2,3,5-trifluorobenzoyl)amino]glutaric acid Formula: C16H17Cl2F3N2O5 MolecularWeight: 445.21779

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1F)F)C(=O)N(C(CCC(=O)O)C(=O)O)N(CCCl)CCCl)F

Isomeric SMILES

C1=C(C=C(C(=C1F)F)C(=O)N(C(CCC(=O)O)C(=O)O)N(CCCl)CCCl)F

InChI

InChI=1S/C16H17Cl2F3N2O5/c17-3-5-22(6-4-18)23(12(16(27)28)1-2-13(24)25)15(26)10-7-9(19)8-11(20)14(10)21/h7-8,12H,1-6H2,(H,24,25)(H,27,28)