4-chloranyl-N-(3-ethanoylphenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-N-(3-ethanoylphenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(3-acetylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(3-acetylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(3-acetylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(3-acetylphenyl)-4-chloro-3-nitro-1H-pyrazole-5-carboxamide Formula: C12H9ClN4O4 MolecularWeight: 308.67726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4O4/c1-6(18)7-3-2-4-8(5-7)14-12(19)10-9(13)11(16-15-10)17(20)21/h2-5H,1H3,(H,14,19)(H,15,16)