[3-(3-methyl-5-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propyl] nitrate

Systemtic Name: [3-(3-methyl-5-nitro-4-oxidanyl-phenyl)-3-oxidanyl-propyl] nitrate Openeye Name: [3-hydroxy-3-(4-hydroxy-3-methyl-5-nitro-phenyl)propyl] nitrate CAS Name: nitric acid [3-hydroxy-3-(4-hydroxy-3-methyl-5-nitrophenyl)propyl] ester IUPAC Name: [3-hydroxy-3-(4-hydroxy-3-methyl-5-nitrophenyl)propyl] nitrate Traditional Name: nitric acid [3-hydroxy-3-(4-hydroxy-3-methyl-5-nitro-phenyl)propyl] ester Formula: C10H12N2O7 MolecularWeight: 272.21148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CCO[N+](=O)[O-])O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)C(CCO[N+](=O)[O-])O)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N2O7/c1-6-4-7(5-8(10(6)14)11(15)16)9(13)2-3-19-12(17)18/h4-5,9,13-14H,2-3H2,1H3