3-(hexanoylamino)-5-nitro-benzoic acid

Systemtic Name: 3-(hexanoylamino)-5-nitro-benzoic acid Openeye Name: 3-(hexanoylamino)-5-nitro-benzoic acid CAS Name: 3-nitro-5-(1-oxohexylamino)benzoic acid IUPAC Name: 3-(hexanoylamino)-5-nitrobenzoic acid Traditional Name: 3-(caproylamino)-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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