4-(hexanoylamino)-3-nitro-benzoyl chloride

Systemtic Name: 4-(hexanoylamino)-3-nitro-benzoyl chloride Openeye Name: 4-(hexanoylamino)-3-nitro-benzoyl chloride CAS Name: 3-nitro-4-(1-oxohexylamino)benzoyl chloride IUPAC Name: 4-(hexanoylamino)-3-nitrobenzoyl chloride Traditional Name: 4-(caproylamino)-3-nitro-benzoyl chloride Formula: C13H15ClN2O4 MolecularWeight: 298.7222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4/c1-2-3-4-5-12(17)15-10-7-6-9(13(14)18)8-11(10)16(19)20/h6-8H,2-5H2,1H3,(H,15,17)