[3-[4-[2-chloroethyl(nitroso)carbamoyl]piperazin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[4-[2-chloroethyl(nitroso)carbamoyl]piperazin-1-yl]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[4-[2-chloroethyl(nitroso)carbamoyl]piperazin-1-yl]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[4-[[2-chloroethyl(nitroso)amino]-oxomethyl]-1-piperazinyl]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[4-[2-chloroethyl(nitroso)carbamoyl]piperazin-1-yl]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[4-[2-chloroethyl(nitroso)carbamoyl]piperazino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C10H21ClN4O9P2 MolecularWeight: 438.695662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)N(CCCl)N=O

Isomeric SMILES

C1CN(CCN1CCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)N(CCCl)N=O

InChI

InChI=1S/C10H21ClN4O9P2/c11-2-4-15(12-18)9(16)14-7-5-13(6-8-14)3-1-10(17,25(19,20)21)26(22,23)24/h17H,1-8H2,(H2,19,20,21)(H2,22,23,24)