[2-(2,6-dimethyl-4-nitro-phenyl)carbonyloxy-3-oxidanyl-propyl] 2,6-dimethyl-4-nitro-benzoate

Systemtic Name: [2-(2,6-dimethyl-4-nitro-phenyl)carbonyloxy-3-oxidanyl-propyl] 2,6-dimethyl-4-nitro-benzoate Openeye Name: [2-(2,6-dimethyl-4-nitro-benzoyl)oxy-3-hydroxy-propyl] 2,6-dimethyl-4-nitro-benzoate CAS Name: 2,6-dimethyl-4-nitrobenzoic acid [2-[(2,6-dimethyl-4-nitrophenyl)-oxomethoxy]-3-hydroxypropyl] ester IUPAC Name: [2-(2,6-dimethyl-4-nitrobenzoyl)oxy-3-hydroxypropyl] 2,6-dimethyl-4-nitrobenzoate Traditional Name: 2,6-dimethyl-4-nitro-benzoic acid [2-(2,6-dimethyl-4-nitro-benzoyl)oxy-3-hydroxy-propyl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OCC(CO)OC(=O)C2=C(C=C(C=C2C)[N+](=O)[O-])C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OCC(CO)OC(=O)C2=C(C=C(C=C2C)[N+](=O)[O-])C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O9/c1-11-5-15(22(27)28)6-12(2)18(11)20(25)31-10-17(9-24)32-21(26)19-13(3)7-16(23(29)30)8-14(19)4/h5-8,17,24H,9-10H2,1-4H3