N-(4-butan-2-ylphenyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-nitro-N-(4-sec-butylphenyl)pyrazole-3-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-2-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-4-nitro-N-(4-sec-butylphenyl)pyrazole-3-carboxamide Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2CC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=C(C=NN2CC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-4-11(3)12-6-8-13(9-7-12)18-16(21)15-14(20(22)23)10-17-19(15)5-2/h6-11H,4-5H2,1-3H3,(H,18,21)