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

Systemtic Name: 4-chloranyl-N-[1-(4-methylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[1-(4-methylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[1-(4-methylphenyl)propyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-nitro-N-[1-(p-tolyl)propyl]-1H-pyrazole-5-carboxamide Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O3/c1-3-10(9-6-4-8(2)5-7-9)16-14(20)12-11(15)13(18-17-12)19(21)22/h4-7,10H,3H2,1-2H3,(H,16,20)(H,17,18)