N-[[5-(azetidin-2-ylmethoxy)-2-chloranyl-pyridin-3-yl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloranyl-pyridin-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloro-3-pyridyl]methyl]-3-nitro-benzamide CAS Name: N-[[5-(2-azetidinylmethoxy)-2-chloro-3-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloropyridin-3-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[5-(azetidin-2-ylmethoxy)-2-chloro-3-pyridyl]methyl]-3-nitro-benzamide Formula: C17H17ClN4O4 MolecularWeight: 376.79428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC1COC2=CN=C(C(=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CNC1COC2=CN=C(C(=C2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN4O4/c18-16-12(7-15(9-20-16)26-10-13-4-5-19-13)8-21-17(23)11-2-1-3-14(6-11)22(24)25/h1-3,6-7,9,13,19H,4-5,8,10H2,(H,21,23)