[2-[[1-(4-azanylbutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonatooxy-propyl] phosphate

Systemtic Name: [2-[[1-(4-azanylbutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonatooxy-propyl] phosphate Openeye Name: [2-[1-(4-aminobutanoyl)-7-nitro-indolin-4-yl]oxy-3-phosphonatooxy-propyl] phosphate CAS Name: [2-[[1-(4-amino-1-oxobutyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonatooxypropyl] phosphate IUPAC Name: [2-[[1-(4-aminobutanoyl)-7-nitro-2,3-dihydroindol-4-yl]oxy]-3-phosphonatooxypropyl] phosphate Traditional Name: [2-[1-(4-aminobutanoyl)-7-nitro-indolin-4-yl]oxy-3-phosphato-propyl] phosphate Formula: C15H19N3O12P2-4 MolecularWeight: 495.271782

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O12P2/c16-6-1-2-14(19)17-7-5-11-13(4-3-12(15(11)17)18(20)21)30-10(8-28-31(22,23)24)9-29-32(25,26)27/h3-4,10H,1-2,5-9,16H2,(H2,22,23,24)(H2,25,26,27)/p-4