N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C18H13ClN4O4 MolecularWeight: 384.77322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O4/c1-22-10-15(23(26)27)16(21-22)18(25)20-14-8-7-12(19)9-13(14)17(24)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,25)