5-[(4-nitroimidazol-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-nitroimidazol-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-nitroimidazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-nitro-1-imidazolyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-nitroimidazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-nitroimidazol-1-yl)methyl]-2-furoate Formula: C9H6N3O5- MolecularWeight: 236.16104

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)C(=O)[O-])CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=C(OC(=C1)C(=O)[O-])CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O5/c13-9(14)7-2-1-6(17-7)3-11-4-8(10-5-11)12(15)16/h1-2,4-5H,3H2,(H,13,14)/p-1