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

Systemtic Name: 5-cyclopropyl-1-(2-methylphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]-1-(o-tolyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(2-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[(2-hydroxy-5-nitrophenyl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-(2-hydroxy-5-nitro-benzyl)-1-(o-tolyl)pyrazole-4-carboxamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)C4CC4

InChI

InChI=1S/C21H20N4O4/c1-13-4-2-3-5-18(13)24-20(14-6-7-14)17(12-23-24)21(27)22-11-15-10-16(25(28)29)8-9-19(15)26/h2-5,8-10,12,14,26H,6-7,11H2,1H3,(H,22,27)