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

Systemtic Name: 4-tert-butyl-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-4-tert-butyl-3-nitro-benzamide CAS Name: 4-tert-butyl-N-[5-methyl-2-(phenylmethyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-(2-benzyl-5-methylpyrazol-3-yl)-4-tert-butyl-3-nitrobenzamide Traditional Name: N-(2-benzyl-5-methyl-pyrazol-3-yl)-4-tert-butyl-3-nitro-benzamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3/c1-15-12-20(25(24-15)14-16-8-6-5-7-9-16)23-21(27)17-10-11-18(22(2,3)4)19(13-17)26(28)29/h5-13H,14H2,1-4H3,(H,23,27)