1-(2-chloroethyl)-3-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]-1-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-3-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]-1-nitroso-urea Formula: C9H13ClN6O5 MolecularWeight: 320.68972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)[N+](=O)[O-])CC(CNC(=O)N(CCCl)N=O)O

Isomeric SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(CNC(=O)N(CCCl)N=O)O

InChI

InChI=1S/C9H13ClN6O5/c10-1-3-15(13-19)9(18)12-5-7(17)6-14-4-2-11-8(14)16(20)21/h2,4,7,17H,1,3,5-6H2,(H,12,18)