[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C7H16ClN3O9P2 MolecularWeight: 383.617162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CNC(=O)N(CCCl)N=O

Isomeric SMILES

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CNC(=O)N(CCCl)N=O

InChI

InChI=1S/C7H16ClN3O9P2/c8-3-5-11(10-14)6(12)9-4-1-2-7(13,21(15,16)17)22(18,19)20/h13H,1-5H2,(H,9,12)(H2,15,16,17)(H2,18,19,20)