(2,6-dimethylphenyl) 2,3-dimethyl-4-nitro-butanoate

Systemtic Name: (2,6-dimethylphenyl) 2,3-dimethyl-4-nitro-butanoate Openeye Name: (2,6-dimethylphenyl) 2,3-dimethyl-4-nitro-butanoate CAS Name: 2,3-dimethyl-4-nitrobutanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2,3-dimethyl-4-nitrobutanoate Traditional Name: 2,3-dimethyl-4-nitro-butyric acid (2,6-dimethylphenyl) ester Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)19-14(16)12(4)11(3)8-15(17)18/h5-7,11-12H,8H2,1-4H3