2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]octanoic acid

Systemtic Name: 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]octanoic acid Openeye Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]octanoic acid CAS Name: 2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]octanoic acid IUPAC Name: 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]octanoic acid Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]caprylic acid Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C(=O)O)NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5/c1-2-3-4-8-11-15(19(25)26)21-17(24)16-18(23(27)28)22(13-20-16)12-14-9-6-5-7-10-14/h5-7,9-10,13,15H,2-4,8,11-12H2,1H3,(H,21,24)(H,25,26)