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

Systemtic Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-nitro-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-nitroimidazol-1-yl)methyl]phenyl]benzoic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=C(N=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O4/c21-17(22)15-4-2-1-3-14(15)13-7-5-12(6-8-13)9-19-10-16(18-11-19)20(23)24/h1-8,10-11H,9H2,(H,21,22)