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

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(3-methyl-4-nitro-phenoxy)methyl]benzamide Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN4O4/c1-15-10-19(6-7-20(15)26(28)29)30-14-16-4-2-5-17(11-16)21(27)23-8-3-9-25-13-18(22)12-24-25/h2,4-7,10-13H,3,8-9,14H2,1H3,(H,23,27)