N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(2-butylphenyl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=O)C2=C(C=NN2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=O)C2=C(C=NN2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-2-3-6-10-7-4-5-8-11(10)16-14(19)13-12(18(20)21)9-15-17-13/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)(H,16,19)