5-nitro-N1,N3-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-nitro-N1,N3-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1,N3-bis(3-pyridylmethyl)benzene-1,3-dicarboxamide CAS Name: 5-nitro-N1,N3-bis(3-pyridinylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 5-nitro-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: 5-nitro-N,N'-bis(3-pyridylmethyl)isophthalamide Formula: C20H17N5O4 MolecularWeight: 391.38008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H17N5O4/c26-19(23-12-14-3-1-5-21-10-14)16-7-17(9-18(8-16)25(28)29)20(27)24-13-15-4-2-6-22-11-15/h1-11H,12-13H2,(H,23,26)(H,24,27)