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

Systemtic Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)-3-pyrazolyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(2,3-dimethylphenyl)pyrazol-3-yl]-2-chloro-4-nitro-benzamide Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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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=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3/c1-13-7-6-8-18(14(13)2)26-20(12-19(25-26)22(3,4)5)24-21(28)16-10-9-15(27(29)30)11-17(16)23/h6-12H,1-5H3,(H,24,28)