2-hexyl-5-methyl-4-(4-nitrophenyl)carbonyl-4H-pyrazol-3-one

Systemtic Name: 2-hexyl-5-methyl-4-(4-nitrophenyl)carbonyl-4H-pyrazol-3-one Openeye Name: 2-hexyl-5-methyl-4-(4-nitrobenzoyl)-4H-pyrazol-3-one CAS Name: 2-hexyl-5-methyl-4-[(4-nitrophenyl)-oxomethyl]-4H-pyrazol-3-one IUPAC Name: 2-hexyl-5-methyl-4-(4-nitrobenzoyl)-4H-pyrazol-3-one Traditional Name: 2-hexyl-5-methyl-4-(4-nitrobenzoyl)-2-pyrazolin-3-one Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C(=O)C(C(=N1)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-3-4-5-6-11-19-17(22)15(12(2)18-19)16(21)13-7-9-14(10-8-13)20(23)24/h7-10,15H,3-6,11H2,1-2H3