N-(5-bromanylpyridin-2-yl)-1-(2-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-(2-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-(2-methyl-3-nitro-benzoyl)piperidine-4-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[(2-methyl-3-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-(2-methyl-3-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-(2-methyl-3-nitro-benzoyl)isonipecotamide Formula: C19H19BrN4O4 MolecularWeight: 447.28256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4O4/c1-12-15(3-2-4-16(12)24(27)28)19(26)23-9-7-13(8-10-23)18(25)22-17-6-5-14(20)11-21-17/h2-6,11,13H,7-10H2,1H3,(H,21,22,25)