5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione

Systemtic Name: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione Openeye Name: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione CAS Name: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione IUPAC Name: 5-methyl-2-(2-phenoxyethyl)pyrazole-3,4-dione Traditional Name: 5-methyl-2-(2-phenoxyethyl)-2-pyrazoline-3,4-quinone Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=O)CCOC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1=O)CCOC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O3/c1-9-11(15)12(16)14(13-9)7-8-17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3