N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetamide Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O5/c1-23(2,3)18-12-19(27(25-18)14-7-5-4-6-8-14)24-20(29)13-26-21(30)16-10-9-15(28(32)33)11-17(16)22(26)31/h4-12H,13H2,1-3H3,(H,24,29)