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

Systemtic Name: 1-(2-chloroethyl)-3-[2-(hydroxymethyl)-1-oxidanyl-3-phenoxy-propan-2-yl]-1-nitroso-urea Openeye Name: 3-[1,1-bis(hydroxymethyl)-2-phenoxy-ethyl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-[1-hydroxy-2-(hydroxymethyl)-3-phenoxypropan-2-yl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-[1-hydroxy-2-(hydroxymethyl)-3-phenoxypropan-2-yl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-(1,1-dimethylol-2-phenoxy-ethyl)-1-nitroso-urea Formula: C13H18ClN3O5 MolecularWeight: 331.75212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CO)(CO)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC=C(C=C1)OCC(CO)(CO)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H18ClN3O5/c14-6-7-17(16-21)12(20)15-13(8-18,9-19)10-22-11-4-2-1-3-5-11/h1-5,18-19H,6-10H2,(H,15,20)