2-nitro-5-(2-propan-2-ylimidazol-1-yl)benzoic acid

Systemtic Name: 2-nitro-5-(2-propan-2-ylimidazol-1-yl)benzoic acid Openeye Name: 5-(2-isopropylimidazol-1-yl)-2-nitro-benzoic acid CAS Name: 2-nitro-5-(2-propan-2-yl-1-imidazolyl)benzoic acid IUPAC Name: 2-nitro-5-(2-propan-2-ylimidazol-1-yl)benzoic acid Traditional Name: 5-(2-isopropylimidazol-1-yl)-2-nitro-benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=NC=CN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H13N3O4/c1-8(2)12-14-5-6-15(12)9-3-4-11(16(19)20)10(7-9)13(17)18/h3-8H,1-2H3,(H,17,18)