8-[(2-chloranyl-5-nitro-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2-chloranyl-5-nitro-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2-chloro-5-nitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-chloro-5-nitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-chloro-5-nitro-benzoyl)amino]caprylic acid Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5/c16-13-8-7-11(18(22)23)10-12(13)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)