4-azanyl-5-[[4-[bis(2-chloroethyl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[4-[bis(2-chloroethyl)amino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[4-[bis(2-chloroethyl)amino]anilino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[4-[bis(2-chloroethyl)amino]anilino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[4-[bis(2-chloroethyl)amino]anilino]-5-keto-valeric acid Formula: C15H21Cl2N3O3 MolecularWeight: 362.25154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2N3O3/c16-7-9-20(10-8-17)12-3-1-11(2-4-12)19-15(23)13(18)5-6-14(21)22/h1-4,13H,5-10,18H2,(H,19,23)(H,21,22)