N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O3/c1-14-8-6-11-18(15(14)2)25-20(13-19(24-25)22(3,4)5)23-21(27)16-9-7-10-17(12-16)26(28)29/h6-13H,1-5H3,(H,23,27)