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

Systemtic Name: 4-chloranyl-N-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-(p-tolylmethyl)-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[(4-methylphenyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(C(=NN2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H11ClN4O3/c1-7-2-4-8(5-3-7)6-14-12(18)10-9(13)11(16-15-10)17(19)20/h2-5H,6H2,1H3,(H,14,18)(H,15,16)