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

Systemtic Name: 4,4-dimethyl-3-(4-nitrophenyl)carbonyl-1H-pyrazol-5-one Openeye Name: 4,4-dimethyl-3-(4-nitrobenzoyl)-1H-pyrazol-5-one CAS Name: 4,4-dimethyl-3-[(4-nitrophenyl)-oxomethyl]-1H-pyrazol-5-one IUPAC Name: 4,4-dimethyl-3-(4-nitrobenzoyl)-1H-pyrazol-5-one Traditional Name: 4,4-dimethyl-5-(4-nitrobenzoyl)-2-pyrazolin-3-one Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NNC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=NNC1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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