butyl 4-[2-(4-nitroimidazol-1-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-nitroimidazol-1-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoic acid butyl ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-2-3-8-25-16(22)12-4-6-13(7-5-12)18-15(21)10-19-9-14(17-11-19)20(23)24/h4-7,9,11H,2-3,8,10H2,1H3,(H,18,21)