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

Systemtic Name: [3-(2-methyl-3-nitro-phenyl)carbonyloxy-2-oxidanylidene-propyl] 2-methyl-3-nitro-benzoate Openeye Name: [3-(2-methyl-3-nitro-benzoyl)oxy-2-oxo-propyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [3-[(2-methyl-3-nitrophenyl)-oxomethoxy]-2-oxopropyl] ester IUPAC Name: [3-(2-methyl-3-nitrobenzoyl)oxy-2-oxopropyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-3-(2-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=CC=C1[N+](=O)[O-])C(=O)OCC(=O)COC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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