N-[bis(2-chloroethyl)aminomethyl]-4-methyl-benzamide

Systemtic Name: N-[bis(2-chloroethyl)aminomethyl]-4-methyl-benzamide Openeye Name: N-[bis(2-chloroethyl)aminomethyl]-4-methyl-benzamide CAS Name: N-[bis(2-chloroethyl)aminomethyl]-4-methylbenzamide IUPAC Name: N-[bis(2-chloroethyl)aminomethyl]-4-methylbenzamide Traditional Name: N-[bis(2-chloroethyl)aminomethyl]-4-methyl-benzamide Formula: C13H18Cl2N2O MolecularWeight: 289.20082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCN(CCCl)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCN(CCCl)CCCl

InChI

InChI=1S/C13H18Cl2N2O/c1-11-2-4-12(5-3-11)13(18)16-10-17(8-6-14)9-7-15/h2-5H,6-10H2,1H3,(H,16,18)