N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-chloranyl-4-nitro-benzamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-chloro-4-nitro-benzamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-chloro-4-nitrobenzamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-chloro-4-nitrobenzamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-chloro-4-nitro-benzamide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O3/c1-20(2,3)17-12-18(24(23-17)13-7-5-4-6-8-13)22-19(26)15-10-9-14(25(27)28)11-16(15)21/h4-12H,1-3H3,(H,22,26)