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

Systemtic Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-21(2,3)18-13-19(24(23-18)15-8-10-17(29-4)11-9-15)22-20(26)14-6-5-7-16(12-14)25(27)28/h5-13H,1-4H3,(H,22,26)