2-(2-methylimidazol-1-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(2-methylimidazol-1-yl)-5-nitro-benzoic acid Openeye Name: 2-(2-methylimidazol-1-yl)-5-nitro-benzoic acid CAS Name: 2-(2-methyl-1-imidazolyl)-5-nitrobenzoic acid IUPAC Name: 2-(2-methylimidazol-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(2-methylimidazol-1-yl)-5-nitro-benzoic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N3O4/c1-7-12-4-5-13(7)10-3-2-8(14(17)18)6-9(10)11(15)16/h2-6H,1H3,(H,15,16)