4-bromanyl-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-3-nitro-N-(1-phenylpropyl)-1H-pyrazole-5-carboxamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c1-2-9(8-6-4-3-5-7-8)15-13(19)11-10(14)12(17-16-11)18(20)21/h3-7,9H,2H2,1H3,(H,15,19)(H,16,17)