2-(3-methylbutan-2-ylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(3-methylbutan-2-ylamino)-5-nitro-benzoic acid Openeye Name: 2-(1,2-dimethylpropylamino)-5-nitro-benzoic acid CAS Name: 2-(3-methylbutan-2-ylamino)-5-nitrobenzoic acid IUPAC Name: 2-(3-methylbutan-2-ylamino)-5-nitrobenzoic acid Traditional Name: 2-(1,2-dimethylpropylamino)-5-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-7(2)8(3)13-11-5-4-9(14(17)18)6-10(11)12(15)16/h4-8,13H,1-3H3,(H,15,16)