[4-[7-(4-nitrooxybutanoyloxy)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]phenyl] 4-nitrooxybutanoate

Systemtic Name: [4-[7-(4-nitrooxybutanoyloxy)-5-oxidanyl-4-oxidanylidene-chromen-3-yl]phenyl] 4-nitrooxybutanoate Openeye Name: [4-[5-hydroxy-7-(4-nitrooxybutanoyloxy)-4-oxo-chromen-3-yl]phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [4-[5-hydroxy-7-(4-nitrooxy-1-oxobutoxy)-4-oxo-1-benzopyran-3-yl]phenyl] ester IUPAC Name: [4-[5-hydroxy-7-(4-nitrooxybutanoyloxy)-4-oxochromen-3-yl]phenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [4-[5-hydroxy-4-keto-7-(4-nitrooxybutanoyloxy)chromen-3-yl]phenyl] ester Formula: C23H20N2O13 MolecularWeight: 532.4105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O13/c26-18-11-16(38-21(28)4-2-10-36-25(32)33)12-19-22(18)23(29)17(13-34-19)14-5-7-15(8-6-14)37-20(27)3-1-9-35-24(30)31/h5-8,11-13,26H,1-4,9-10H2