tert-butyl 4-(hydroxymethyl)-3-nitro-benzoate

Systemtic Name: tert-butyl 4-(hydroxymethyl)-3-nitro-benzoate Openeye Name: tert-butyl 4-(hydroxymethyl)-3-nitro-benzoate CAS Name: 4-(hydroxymethyl)-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(hydroxymethyl)-3-nitrobenzoate Traditional Name: 4-methylol-3-nitro-benzoic acid tert-butyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-12(2,3)18-11(15)8-4-5-9(7-14)10(6-8)13(16)17/h4-6,14H,7H2,1-3H3