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

Systemtic Name: methyl 4-[2-(4-nitroimidazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-nitro-1-imidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-nitroimidazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5/c1-22-13(19)9-2-4-10(5-3-9)15-12(18)7-16-6-11(14-8-16)17(20)21/h2-6,8H,7H2,1H3,(H,15,18)