2-(4-nitrophenyl)-5-propan-2-yl-4H-pyrazol-3-one

Systemtic Name: 2-(4-nitrophenyl)-5-propan-2-yl-4H-pyrazol-3-one Openeye Name: 5-isopropyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-5-propan-2-yl-4H-pyrazol-3-one IUPAC Name: 2-(4-nitrophenyl)-5-propan-2-yl-4H-pyrazol-3-one Traditional Name: 5-isopropyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-8(2)11-7-12(16)14(13-11)9-3-5-10(6-4-9)15(17)18/h3-6,8H,7H2,1-2H3