N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(4-bromanylphenoxy)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(4-bromophenoxy)methyl]-4-pyrazolyl]-2-methyl-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propionamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O4/c1-12(8-22-10-15(7-20-22)24(26)27)17(25)21-14-6-19-23(9-14)11-28-16-4-2-13(18)3-5-16/h2-7,9-10,12H,8,11H2,1H3,(H,21,25)