[2-imidazo[1,2-a]pyridin-3-yl-1-(4-nitrooxybutanoyloxy)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-imidazo[1,2-a]pyridin-3-yl-1-(4-nitrooxybutanoyloxy)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-imidazo[1,2-a]pyridin-3-yl-1-(4-nitrooxybutanoyloxy)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(3-imidazo[1,2-a]pyridinyl)-1-(4-nitrooxy-1-oxobutoxy)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-imidazo[1,2-a]pyridin-3-yl-1-(4-nitrooxybutanoyloxy)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-imidazo[1,2-a]pyridin-3-yl-1-(4-nitrooxybutanoyloxy)-1-phosphono-ethyl]phosphonic acid Formula: C13H17N3O11P2 MolecularWeight: 453.235102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=C(N2C=C1)CC(OC(=O)CCCO[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC2=NC=C(N2C=C1)CC(OC(=O)CCCO[N+](=O)[O-])(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H17N3O11P2/c17-12(5-3-7-26-16(18)19)27-13(28(20,21)22,29(23,24)25)8-10-9-14-11-4-1-2-6-15(10)11/h1-2,4,6,9H,3,5,7-8H2,(H2,20,21,22)(H2,23,24,25)