1-(3-chlorophenyl)-5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 1-(3-chlorophenyl)-5-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(3-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(3-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-(2-hydroxy-5-nitro-benzyl)-5-methyl-pyrazole-4-carboxamide Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H15ClN4O4/c1-11-16(10-21-22(11)14-4-2-3-13(19)8-14)18(25)20-9-12-7-15(23(26)27)5-6-17(12)24/h2-8,10,24H,9H2,1H3,(H,20,25)