N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C15H13BrN6O4 MolecularWeight: 421.20552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCN2C=C(C=N2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H13BrN6O4/c16-11-1-3-14(4-2-11)26-10-21-7-12(5-17-21)19-15(23)9-20-8-13(6-18-20)22(24)25/h1-8H,9-10H2,(H,19,23)