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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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