2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]acetic acid CAS Name: 2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]acetic acid Traditional Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]acetic acid Formula: C14H18Cl2N2O3 MolecularWeight: 333.21032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C14H18Cl2N2O3/c1-10-2-3-11(14(21)17-9-13(19)20)8-12(10)18(6-4-15)7-5-16/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,19,20)