N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-4-nitro-phenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-4-nitrophenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-4-nitro-phenoxy)methyl]benzamide Formula: C20H18BrClN4O4 MolecularWeight: 493.73832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C20H18BrClN4O4/c21-16-11-24-25(12-16)9-1-8-23-20(27)15-4-2-14(3-5-15)13-30-19-7-6-17(26(28)29)10-18(19)22/h2-7,10-12H,1,8-9,13H2,(H,23,27)