4-bromanyl-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-(5-tert-butyl-2-methoxyphenyl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-(5-tert-butyl-2-methoxy-phenyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C15H17BrN4O4 MolecularWeight: 397.22388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H17BrN4O4/c1-15(2,3)8-5-6-10(24-4)9(7-8)17-14(21)12-11(16)13(19-18-12)20(22)23/h5-7H,1-4H3,(H,17,21)(H,18,19)