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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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