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

Systemtic Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-nitro-benzamide Formula: C20H19N5O5 MolecularWeight: 409.39536

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-20(2,3)17-12-18(21-19(26)13-5-4-6-16(11-13)25(29)30)23(22-17)14-7-9-15(10-8-14)24(27)28/h4-12H,1-3H3,(H,21,26)