2-(4-bromanylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=C(C=N3)Br

Isomeric SMILES

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=C(C=N3)Br

InChI

InChI=1S/C18H15BrN4O5/c1-27-16-4-2-3-5-17(16)28-15-7-13(6-14(8-15)23(25)26)21-18(24)11-22-10-12(19)9-20-22/h2-10H,11H2,1H3,(H,21,24)