hexyl 4-nitro-1H-pyrazole-5-carboxylate

Systemtic Name: hexyl 4-nitro-1H-pyrazole-5-carboxylate Openeye Name: hexyl 4-nitro-1H-pyrazole-5-carboxylate CAS Name: 4-nitro-1H-pyrazole-5-carboxylic acid hexyl ester IUPAC Name: hexyl 4-nitro-1H-pyrazole-5-carboxylate Traditional Name: 4-nitro-1H-pyrazole-5-carboxylic acid hexyl ester Formula: C10H15N3O4 MolecularWeight: 241.2438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C=NN1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC(=O)C1=C(C=NN1)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O4/c1-2-3-4-5-6-17-10(14)9-8(13(15)16)7-11-12-9/h7H,2-6H2,1H3,(H,11,12)