methyl 3-(tert-butylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(tert-butylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(tert-butylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(tert-butylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(tert-butylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(tert-butylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-13(2,3)14-11(16)8-5-9(12(17)20-4)7-10(6-8)15(18)19/h5-7H,1-4H3,(H,14,16)