1-[3-nitro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanone Openeye Name: 1-[4-(2-isopropylimidazol-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[3-nitro-4-(2-propan-2-yl-1-imidazolyl)phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanone Traditional Name: 1-[4-(2-isopropylimidazol-1-yl)-3-nitro-phenyl]ethanone Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3/c1-9(2)14-15-6-7-16(14)12-5-4-11(10(3)18)8-13(12)17(19)20/h4-9H,1-3H3