4-(hexanoylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(hexanoylamino)-3-nitro-benzoic acid Openeye Name: 4-(hexanoylamino)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(1-oxohexylamino)benzoic acid IUPAC Name: 4-(hexanoylamino)-3-nitrobenzoic acid Traditional Name: 4-(caproylamino)-3-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-2-3-4-5-12(16)14-10-7-6-9(13(17)18)8-11(10)15(19)20/h6-8H,2-5H2,1H3,(H,14,16)(H,17,18)