N-[1-(4-butan-2-ylphenyl)propyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]acetamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide Traditional Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]acetamide Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C19H25N5O5/c1-5-12(3)14-7-9-15(10-8-14)16(6-2)20-17(25)11-22-13(4)18(23(26)27)19(21-22)24(28)29/h7-10,12,16H,5-6,11H2,1-4H3,(H,20,25)