2-hexyl-5-methyl-4-nitroso-1H-pyrazol-3-one

Systemtic Name: 2-hexyl-5-methyl-4-nitroso-1H-pyrazol-3-one Openeye Name: 2-hexyl-5-methyl-4-nitroso-1H-pyrazol-3-one CAS Name: 2-hexyl-5-methyl-4-nitroso-1H-pyrazol-3-one IUPAC Name: 2-hexyl-5-methyl-4-nitroso-1H-pyrazol-3-one Traditional Name: 2-hexyl-5-methyl-4-nitroso-3-pyrazolin-3-one Formula: C10H17N3O2 MolecularWeight: 211.26088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=C(N1)C)N=O

Isomeric SMILES

CCCCCCN1C(=O)C(=C(N1)C)N=O

InChI

InChI=1S/C10H17N3O2/c1-3-4-5-6-7-13-10(14)9(12-15)8(2)11-13/h11H,3-7H2,1-2H3