[3-(4-methyl-3-nitro-phenyl)carbonyloxy-2-oxidanylidene-propyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [3-(4-methyl-3-nitro-phenyl)carbonyloxy-2-oxidanylidene-propyl] 4-methyl-3-nitro-benzoate Openeye Name: [3-(4-methyl-3-nitro-benzoyl)oxy-2-oxo-propyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [3-[(4-methyl-3-nitrophenyl)-oxomethoxy]-2-oxopropyl] ester IUPAC Name: [3-(4-methyl-3-nitrobenzoyl)oxy-2-oxopropyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-3-(4-methyl-3-nitro-benzoyl)oxy-propyl] ester Formula: C19H16N2O9 MolecularWeight: 416.33834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O9/c1-11-3-5-13(7-16(11)20(25)26)18(23)29-9-15(22)10-30-19(24)14-6-4-12(2)17(8-14)21(27)28/h3-8H,9-10H2,1-2H3