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

Systemtic Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C

InChI

InChI=1S/C21H22N4O4/c1-13-4-6-16(7-5-13)12-24-15(3)20(14(2)23-24)21(27)22-11-17-10-18(25(28)29)8-9-19(17)26/h4-10,26H,11-12H2,1-3H3,(H,22,27)