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

Systemtic Name: 5-(3-methoxyphenyl)-2-propan-2-yl-pyrazole-3,4-dione Openeye Name: 2-isopropyl-5-(3-methoxyphenyl)pyrazole-3,4-dione CAS Name: 5-(3-methoxyphenyl)-2-propan-2-ylpyrazole-3,4-dione IUPAC Name: 5-(3-methoxyphenyl)-2-propan-2-ylpyrazole-3,4-dione Traditional Name: 2-isopropyl-5-(3-methoxyphenyl)-2-pyrazoline-3,4-quinone Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)N1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H14N2O3/c1-8(2)15-13(17)12(16)11(14-15)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3