N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C17H17BrN6O4 MolecularWeight: 449.25868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O4/c1-2-23-15(12(18)9-20-23)10-19-17(25)13-7-8-22(21-13)11-28-16-6-4-3-5-14(16)24(26)27/h3-9H,2,10-11H2,1H3,(H,19,25)