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

Systemtic Name: [3-[4-(dimethylamino)-3-nitro-phenyl]carbonyloxy-2-oxidanylidene-propyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [3-[4-(dimethylamino)-3-nitro-benzoyl]oxy-2-oxo-propyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [3-[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]-2-oxopropyl] ester IUPAC Name: [3-[4-(dimethylamino)-3-nitrobenzoyl]oxy-2-oxopropyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [3-[4-(dimethylamino)-3-nitro-benzoyl]oxy-2-keto-propyl] ester Formula: C21H22N4O9 MolecularWeight: 474.42078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O9/c1-22(2)16-7-5-13(9-18(16)24(29)30)20(27)33-11-15(26)12-34-21(28)14-6-8-17(23(3)4)19(10-14)25(31)32/h5-10H,11-12H2,1-4H3