1-(2-chloroethyl)-1-nitroso-3-(3,4,6-trimethoxy-5-oxidanyl-1-oxidanylidene-hexan-2-yl)urea

Systemtic Name: 1-(2-chloroethyl)-1-nitroso-3-(3,4,6-trimethoxy-5-oxidanyl-1-oxidanylidene-hexan-2-yl)urea Openeye Name: 1-(2-chloroethyl)-3-(1-formyl-4-hydroxy-2,3,5-trimethoxy-pentyl)-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-(5-hydroxy-3,4,6-trimethoxy-1-oxohexan-2-yl)-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-(5-hydroxy-3,4,6-trimethoxy-1-oxohexan-2-yl)-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-(1-formyl-4-hydroxy-2,3,5-trimethoxy-pentyl)-1-nitroso-urea Formula: C12H22ClN3O7 MolecularWeight: 355.77198

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(C(C(C=O)NC(=O)N(CCCl)N=O)OC)OC)O

Isomeric SMILES

COCC(C(C(C(C=O)NC(=O)N(CCCl)N=O)OC)OC)O

InChI

InChI=1S/C12H22ClN3O7/c1-21-7-9(18)11(23-3)10(22-2)8(6-17)14-12(19)16(15-20)5-4-13/h6,8-11,18H,4-5,7H2,1-3H3,(H,14,19)