2-(2-nitrophenyl)-5-propyl-4H-pyrazol-3-one

Systemtic Name: 2-(2-nitrophenyl)-5-propyl-4H-pyrazol-3-one Openeye Name: 2-(2-nitrophenyl)-5-propyl-4H-pyrazol-3-one CAS Name: 2-(2-nitrophenyl)-5-propyl-4H-pyrazol-3-one IUPAC Name: 2-(2-nitrophenyl)-5-propyl-4H-pyrazol-3-one Traditional Name: 2-(2-nitrophenyl)-5-propyl-2-pyrazolin-3-one Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c1-2-5-9-8-12(16)14(13-9)10-6-3-4-7-11(10)15(17)18/h3-4,6-7H,2,5,8H2,1H3