tert-butyl 4-methyl-3-nitro-benzoate

Systemtic Name: tert-butyl 4-methyl-3-nitro-benzoate Openeye Name: tert-butyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid tert-butyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8-5-6-9(7-10(8)13(15)16)11(14)17-12(2,3)4/h5-7H,1-4H3