8-[(2-methyl-4-nitro-phenyl)carbonylamino]octanoic acid

Systemtic Name: 8-[(2-methyl-4-nitro-phenyl)carbonylamino]octanoic acid Openeye Name: 8-[(2-methyl-4-nitro-benzoyl)amino]octanoic acid CAS Name: 8-[[(2-methyl-4-nitrophenyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-methyl-4-nitrobenzoyl)amino]octanoic acid Traditional Name: 8-[(2-methyl-4-nitro-benzoyl)amino]caprylic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C16H22N2O5/c1-12-11-13(18(22)23)8-9-14(12)16(21)17-10-6-4-2-3-5-7-15(19)20/h8-9,11H,2-7,10H2,1H3,(H,17,21)(H,19,20)