1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxidanylidenecyclohepta[d]imidazol-1-yl)ethyl]urea

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxidanylidenecyclohepta[d]imidazol-1-yl)ethyl]urea Openeye Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxocyclohepta[d]imidazol-1-yl)ethyl]urea CAS Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxo-1-cyclohepta[d]imidazolyl)ethyl]urea IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-[2-(2-oxocyclohepta[d]imidazol-1-yl)ethyl]urea Traditional Name: 1-(2-chloroethyl)-3-[2-(2-ketocyclohept[d]imidazol-1-yl)ethyl]-1-nitroso-urea Formula: C13H14ClN5O3 MolecularWeight: 323.73496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=NC(=O)N2CCNC(=O)N(CCCl)N=O)C=C1

Isomeric SMILES

C1=CC=C2C(=NC(=O)N2CCNC(=O)N(CCCl)N=O)C=C1

InChI

InChI=1S/C13H14ClN5O3/c14-6-8-19(17-22)12(20)15-7-9-18-11-5-3-1-2-4-10(11)16-13(18)21/h1-5H,6-9H2,(H,15,20)