(3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6/c1-22(2,3)19(25)13-30-21(27)16-9-7-6-8-15(16)20(26)14-10-11-17(23(4)5)18(12-14)24(28)29/h6-12H,13H2,1-5H3