1-(2-chloroethyl)-1-nitroso-3-[(4-oxidanylcyclohexyl)methyl]urea; ethanoic acid

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-[(4-oxidanylcyclohexyl)methyl]urea; ethanoic acid Openeye Name: acetic acid; 1-(2-chloroethyl)-3-[(4-hydroxycyclohexyl)methyl]-1-nitroso-urea CAS Name: acetic acid; 1-(2-chloroethyl)-3-[(4-hydroxycyclohexyl)methyl]-1-nitrosourea IUPAC Name: acetic acid; 1-(2-chloroethyl)-3-[(4-hydroxycyclohexyl)methyl]-1-nitrosourea Traditional Name: acetic acid; 1-(2-chloroethyl)-3-[(4-hydroxycyclohexyl)methyl]-1-nitroso-urea Formula: C12H22ClN3O5 MolecularWeight: 323.77318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC(CCC1CNC(=O)N(CCCl)N=O)O

Isomeric SMILES

CC(=O)O.C1CC(CCC1CNC(=O)N(CCCl)N=O)O

InChI

InChI=1S/C10H18ClN3O3.C2H4O2/c11-5-6-14(13-17)10(16)12-7-8-1-3-9(15)4-2-8;1-2(3)4/h8-9,15H,1-7H2,(H,12,16);1H3,(H,3,4)