N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-(3-methyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-(3-methyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CC(=O)NC2=CN(N=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN6O4/c1-11-15(23(25)26)8-21(20-11)9-16(24)19-13-6-18-22(7-13)10-27-14-4-2-12(17)3-5-14/h2-8H,9-10H2,1H3,(H,19,24)