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

Systemtic Name: 4-[(4-nitroimidazol-1-yl)methyl]benzoate Openeye Name: 4-[(4-nitroimidazol-1-yl)methyl]benzoate CAS Name: 4-[(4-nitro-1-imidazolyl)methyl]benzoate IUPAC Name: 4-[(4-nitroimidazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-nitroimidazol-1-yl)methyl]benzoate Formula: C11H8N3O4- MolecularWeight: 246.19892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(N=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-3-1-8(2-4-9)5-13-6-10(12-7-13)14(17)18/h1-4,6-7H,5H2,(H,15,16)/p-1