3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-cyclooctyl-benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-cyclooctyl-benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-cyclooctyl-benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-cyclooctylbenzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-cyclooctylbenzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-cyclooctyl-benzamide Formula: C19H23BrN4O3 MolecularWeight: 435.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H23BrN4O3/c20-17-13-23(22-18(17)24(26)27)12-14-7-6-8-15(11-14)19(25)21-16-9-4-2-1-3-5-10-16/h6-8,11,13,16H,1-5,9-10,12H2,(H,21,25)