methyl 2-[[5-nitro-3-(phenylmethyl)imidazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[5-nitro-3-(phenylmethyl)imidazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[(3-benzyl-5-nitro-imidazole-4-carbonyl)amino]acetate CAS Name: 2-[[[5-nitro-3-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-benzyl-5-nitroimidazole-4-carbonyl)amino]acetate Traditional Name: 2-[(3-benzyl-5-nitro-imidazole-4-carbonyl)amino]acetic acid methyl ester Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)C1=C(N=CN1CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-23-11(19)7-15-14(20)12-13(18(21)22)16-9-17(12)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,20)