N-(5-bromanylpyridin-2-yl)-1-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-1-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxamide Openeye Name: N-(5-bromo-2-pyridyl)-1-[1-methyl-2-(3-nitroanilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: N-(5-bromo-2-pyridinyl)-1-[1-(3-nitroanilino)-1-oxopropan-2-yl]-3-piperidinecarboxamide IUPAC Name: N-(5-bromopyridin-2-yl)-1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide Traditional Name: N-(5-bromo-2-pyridyl)-1-[2-keto-1-methyl-2-(3-nitroanilino)ethyl]nipecotamide Formula: C20H22BrN5O4 MolecularWeight: 476.32378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N2CCCC(C2)C(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN5O4/c1-13(19(27)23-16-5-2-6-17(10-16)26(29)30)25-9-3-4-14(12-25)20(28)24-18-8-7-15(21)11-22-18/h2,5-8,10-11,13-14H,3-4,9,12H2,1H3,(H,23,27)(H,22,24,28)