5-methyl-4-(3-nitrophenyl)carbonyl-2-pentyl-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(3-nitrophenyl)carbonyl-2-pentyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-(3-nitrobenzoyl)-2-pentyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(3-nitrophenyl)-oxomethyl]-2-pentyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-(3-nitrobenzoyl)-2-pentyl-1H-pyrazol-3-one Traditional Name: 2-amyl-5-methyl-4-(3-nitrobenzoyl)-3-pyrazolin-3-one Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C(=C(N1)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C(=C(N1)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-3-4-5-9-18-16(21)14(11(2)17-18)15(20)12-7-6-8-13(10-12)19(22)23/h6-8,10,17H,3-5,9H2,1-2H3