5-(3-nitrophenyl)-2-propan-2-yl-pyrazole-3,4-dione

Systemtic Name: 5-(3-nitrophenyl)-2-propan-2-yl-pyrazole-3,4-dione Openeye Name: 2-isopropyl-5-(3-nitrophenyl)pyrazole-3,4-dione CAS Name: 5-(3-nitrophenyl)-2-propan-2-ylpyrazole-3,4-dione IUPAC Name: 5-(3-nitrophenyl)-2-propan-2-ylpyrazole-3,4-dione Traditional Name: 2-isopropyl-5-(3-nitrophenyl)-2-pyrazoline-3,4-quinone Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-7(2)14-12(17)11(16)10(13-14)8-4-3-5-9(6-8)15(18)19/h3-7H,1-2H3