3-nitro-4-(pentan-2-ylamino)benzoic acid

Systemtic Name: 3-nitro-4-(pentan-2-ylamino)benzoic acid Openeye Name: 4-(1-methylbutylamino)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(pentan-2-ylamino)benzoic acid IUPAC Name: 3-nitro-4-(pentan-2-ylamino)benzoic acid Traditional Name: 4-(1-methylbutylamino)-3-nitro-benzoic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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