3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoic acid

Systemtic Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoic acid Openeye Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(2-propan-2-yl-1-imidazolyl)benzoic acid IUPAC Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoic acid Traditional Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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