1-(2-chloroethyl)-3-[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]-1-nitroso-urea

Systemtic Name: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]-1-nitroso-urea Openeye Name: 3-[1,1-bis(hydroxymethyl)propyl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-(1,1-dimethylolpropyl)-1-nitroso-urea Formula: C8H16ClN3O4 MolecularWeight: 253.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)NC(=O)N(CCCl)N=O

Isomeric SMILES

CCC(CO)(CO)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C8H16ClN3O4/c1-2-8(5-13,6-14)10-7(15)12(11-16)4-3-9/h13-14H,2-6H2,1H3,(H,10,15)