2-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-phenethyl-ethanamide

Systemtic Name: 2-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-phenethyl-ethanamide Openeye Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-phenethyl-acetamide CAS Name: 2-(4-bromo-3-nitro-1-pyrazolyl)-N-phenethylacetamide IUPAC Name: 2-(4-bromo-3-nitropyrazol-1-yl)-N-phenethylacetamide Traditional Name: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-phenethyl-acetamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c14-11-8-17(16-13(11)18(20)21)9-12(19)15-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,15,19)