N-(5-chloranyl-2-oxidanyl-phenyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-oxidanyl-phenyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(5-chloro-2-hydroxy-phenyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(5-chloro-2-hydroxyphenyl)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(5-chloro-2-hydroxyphenyl)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(5-chloro-2-hydroxy-phenyl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C16H15ClN6O4 MolecularWeight: 390.7811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN6O4/c1-9-15(23(26)27)10(2)22(19-9)8-21-6-5-12(20-21)16(25)18-13-7-11(17)3-4-14(13)24/h3-7,24H,8H2,1-2H3,(H,18,25)