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

Systemtic Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(4-chlorophenyl)-3-pyrazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)Cl)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)Cl)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O3/c1-13-5-6-14(11-17(13)26(28)29)20(27)23-19-12-18(21(2,3)4)24-25(19)16-9-7-15(22)8-10-16/h5-12H,1-4H3,(H,23,27)