4-(2-methylbutan-2-ylamino)-3-nitro-benzoate

Systemtic Name: 4-(2-methylbutan-2-ylamino)-3-nitro-benzoate Openeye Name: 4-(1,1-dimethylpropylamino)-3-nitro-benzoate CAS Name: 4-(2-methylbutan-2-ylamino)-3-nitrobenzoate IUPAC Name: 4-(2-methylbutan-2-ylamino)-3-nitrobenzoate Traditional Name: 4-(tert-amylamino)-3-nitro-benzoate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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