3-[2-(benzimidazol-1-yl)ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride

Systemtic Name: 3-[2-(benzimidazol-1-yl)ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride Openeye Name: 3-[2-(benzimidazol-1-yl)ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride CAS Name: 3-[2-(1-benzimidazolyl)ethyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride IUPAC Name: 3-[2-(benzimidazol-1-yl)ethyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride Traditional Name: 3-[2-(benzimidazol-1-yl)ethyl]-1-(2-chloroethyl)-1-nitroso-urea hydrochloride Formula: C12H15Cl2N5O2 MolecularWeight: 332.1858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCNC(=O)N(CCCl)N=O.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCNC(=O)N(CCCl)N=O.Cl

InChI

InChI=1S/C12H14ClN5O2.ClH/c13-5-7-18(16-20)12(19)14-6-8-17-9-15-10-3-1-2-4-11(10)17;/h1-4,9H,5-8H2,(H,14,19);1H