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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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