N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C15H13BrN6O4 MolecularWeight: 421.20552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrN6O4/c1-20-8-13(22(24)25)14(19-20)15(23)18-11-6-17-21(7-11)9-26-12-4-2-10(16)3-5-12/h2-8H,9H2,1H3,(H,18,23)