[2-[[1-(4-azidobutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonooxy-propyl] dihydrogen phosphate

Systemtic Name: [2-[[1-(4-azidobutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonooxy-propyl] dihydrogen phosphate Openeye Name: [2-[1-(4-azidobutanoyl)-7-nitro-indolin-4-yl]oxy-3-phosphonooxy-propyl] dihydrogen phosphate CAS Name: [2-[[1-(4-azido-1-oxobutyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonooxypropyl] dihydrogen phosphate IUPAC Name: [2-[[1-(4-azidobutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonooxypropyl] dihydrogen phosphate Traditional Name: [2-[1-(4-azidobutanoyl)-7-nitro-indolin-4-yl]oxy-3-phosphonooxy-propyl] dihydrogen phosphate Formula: C15H21N5O12P2 MolecularWeight: 525.301062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=CC(=C21)OC(COP(=O)(O)O)COP(=O)(O)O)[N+](=O)[O-])C(=O)CCCN=[N+]=[N-]

Isomeric SMILES

C1CN(C2=C(C=CC(=C21)OC(COP(=O)(O)O)COP(=O)(O)O)[N+](=O)[O-])C(=O)CCCN=[N+]=[N-]

InChI

InChI=1S/C15H21N5O12P2/c16-18-17-6-1-2-14(21)19-7-5-11-13(4-3-12(15(11)19)20(22)23)32-10(8-30-33(24,25)26)9-31-34(27,28)29/h3-4,10H,1-2,5-9H2,(H2,24,25,26)(H2,27,28,29)