N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-4-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-4-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-4-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(2-methylphenyl)-3-pyrazolyl]-4-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(o-tolyl)pyrazol-3-yl]-4-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14-7-5-6-8-17(14)24-19(13-18(23-24)21(2,3)4)22-20(26)15-9-11-16(12-10-15)25(27)28/h5-13H,1-4H3,(H,22,26)