5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-butyl-2-methyl-4-(4-nitrobenzyl)-3-pyrazolin-3-one Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3/c1-3-4-5-14-13(15(19)17(2)16-14)10-11-6-8-12(9-7-11)18(20)21/h6-9,16H,3-5,10H2,1-2H3