3-(4-aminophenyl)carbonyl-4,4-dimethyl-1H-pyrazol-5-one

Systemtic Name: 3-(4-aminophenyl)carbonyl-4,4-dimethyl-1H-pyrazol-5-one Openeye Name: 3-(4-aminobenzoyl)-4,4-dimethyl-1H-pyrazol-5-one CAS Name: 3-[(4-aminophenyl)-oxomethyl]-4,4-dimethyl-1H-pyrazol-5-one IUPAC Name: 3-(4-aminobenzoyl)-4,4-dimethyl-1H-pyrazol-5-one Traditional Name: 5-(4-aminobenzoyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NNC1=O)C(=O)C2=CC=C(C=C2)N)C

Isomeric SMILES

CC1(C(=NNC1=O)C(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C12H13N3O2/c1-12(2)10(14-15-11(12)17)9(16)7-3-5-8(13)6-4-7/h3-6H,13H2,1-2H3,(H,15,17)