2-(2-methylbutan-2-ylamino)-5-nitro-benzoate

Systemtic Name: 2-(2-methylbutan-2-ylamino)-5-nitro-benzoate Openeye Name: 2-(1,1-dimethylpropylamino)-5-nitro-benzoate CAS Name: 2-(2-methylbutan-2-ylamino)-5-nitrobenzoate IUPAC Name: 2-(2-methylbutan-2-ylamino)-5-nitrobenzoate Traditional Name: 2-(tert-amylamino)-5-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(C)(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-4-12(2,3)13-10-6-5-8(14(17)18)7-9(10)11(15)16/h5-7,13H,4H2,1-3H3,(H,15,16)/p-1