methyl 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]hexanoate Openeye Name: methyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]hexanoate CAS Name: 2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]hexanoate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]hexanoic acid methyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5/c1-3-4-10-14(18(24)27-2)20-16(23)15-17(22(25)26)21(12-19-15)11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,20,23)