N-[1-(4-butan-2-ylphenyl)propyl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-chloranyl-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(4-butan-2-ylphenyl)propyl]-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-nitro-N-[1-(4-sec-butylphenyl)propyl]-1H-pyrazole-5-carboxamide Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H21ClN4O3/c1-4-10(3)11-6-8-12(9-7-11)13(5-2)19-17(23)15-14(18)16(21-20-15)22(24)25/h6-10,13H,4-5H2,1-3H3,(H,19,23)(H,20,21)