2-[(4-nitroimidazol-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-nitroimidazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(4-nitroimidazol-1-yl)methyl]benzoic acid CAS Name: 2-[(4-nitro-1-imidazolyl)methyl]benzoic acid IUPAC Name: 2-[(4-nitroimidazol-1-yl)methyl]benzoic acid Traditional Name: 2-[(4-nitroimidazol-1-yl)methyl]benzoic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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