3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoate

Systemtic Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoate Openeye Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzoate CAS Name: 3-nitro-4-(2-propan-2-yl-1-imidazolyl)benzoate IUPAC Name: 3-nitro-4-(2-propan-2-ylimidazol-1-yl)benzoate Traditional Name: 4-(2-isopropylimidazol-1-yl)-3-nitro-benzoate Formula: C13H12N3O4- MolecularWeight: 274.25208

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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)/p-1