N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-5-nitro-2-furancarboxamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-5-nitro-2-furamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O4/c1-18(2,3)14-11-15(21(20-14)12-7-5-4-6-8-12)19-17(23)13-9-10-16(26-13)22(24)25/h4-11H,1-3H3,(H,19,23)