(3,3-dimethyl-2-oxidanylidene-butyl) 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-15(2,3)13(18)9-22-14(19)11-8-10(17(20)21)6-7-12(11)16(4)5/h6-8H,9H2,1-5H3