2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione

Systemtic Name: 2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione Openeye Name: 2-[bis(2-chloroethyl)aminomethyl]isoindoline-1,3-dione CAS Name: 2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione Traditional Name: 2-[bis(2-chloroethyl)aminomethyl]isoindoline-1,3-quinone Formula: C13H14Cl2N2O2 MolecularWeight: 301.16846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCCl)CCCl

InChI

InChI=1S/C13H14Cl2N2O2/c14-5-7-16(8-6-15)9-17-12(18)10-3-1-2-4-11(10)13(17)19/h1-4H,5-9H2