2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)pyrazol-3-one Openeye Name: 2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)pyrazol-3-one CAS Name: 2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)-3-pyrazolone IUPAC Name: 2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)pyrazol-3-one Traditional Name: 2-ethyl-4,4-dimethyl-5-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CCN1C(=O)C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C13H15N3O3/c1-4-15-12(17)13(2,3)11(14-15)9-5-7-10(8-6-9)16(18)19/h5-8H,4H2,1-3H3