1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitroso-urea Openeye Name: 1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitroso-urea CAS Name: 1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitrosourea IUPAC Name: 1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitrosourea Traditional Name: 1-(2-chloroethyl)-1-[2-(1H-imidazol-5-yl)ethyl]-3-nitroso-urea Formula: C8H12ClN5O2 MolecularWeight: 245.66618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CCN(CCCl)C(=O)NN=O

Isomeric SMILES

C1=C(NC=N1)CCN(CCCl)C(=O)NN=O

InChI

InChI=1S/C8H12ClN5O2/c9-2-4-14(8(15)12-13-16)3-1-7-5-10-6-11-7/h5-6H,1-4H2,(H,10,11)(H,12,15,16)