(3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-3-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9-5-6-10(7-11(9)15(18)19)13(17)20-8-12(16)14(2,3)4/h5-7H,8H2,1-4H3