N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Formula: C20H19BrN4O4 MolecularWeight: 459.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C20H19BrN4O4/c21-17-12-23-24(13-17)10-2-9-22-20(26)16-4-1-3-15(11-16)14-29-19-7-5-18(6-8-19)25(27)28/h1,3-8,11-13H,2,9-10,14H2,(H,22,26)