4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-tert-butyl-benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-tert-butyl-benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-tert-butyl-benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-tert-butylbenzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-tert-butylbenzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-tert-butyl-benzamide Formula: C15H17BrN4O3 MolecularWeight: 381.22448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C15H17BrN4O3/c1-15(2,3)17-14(21)11-6-4-10(5-7-11)8-19-9-12(16)13(18-19)20(22)23/h4-7,9H,8H2,1-3H3,(H,17,21)