8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(4-chloranyl-3-nitro-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(4-chloro-3-nitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(4-chloro-3-nitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(4-chloro-3-nitro-benzoyl)amino]caprylic acid Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCCCCCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCCCCCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H19ClN2O5/c16-12-8-7-11(10-13(12)18(22)23)15(21)17-9-5-3-1-2-4-6-14(19)20/h7-8,10H,1-6,9H2,(H,17,21)(H,19,20)