[3-[(2,3-dimethoxy-5-nitro-phenyl)carbonylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[(2,3-dimethoxy-5-nitro-phenyl)carbonylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[(2,3-dimethoxy-5-nitro-benzoyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[[(2,3-dimethoxy-5-nitrophenyl)-oxomethyl]amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[(2,3-dimethoxy-5-nitrobenzoyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[(2,3-dimethoxy-5-nitro-benzoyl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C12H18N2O12P2 MolecularWeight: 444.225042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)OC

InChI

InChI=1S/C12H18N2O12P2/c1-25-9-6-7(14(17)18)5-8(10(9)26-2)11(15)13-4-3-12(16,27(19,20)21)28(22,23)24/h5-6,16H,3-4H2,1-2H3,(H,13,15)(H2,19,20,21)(H2,22,23,24)