5-nitro-N1,N3-bis(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: 5-nitro-N1,N3-bis(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1,N3-bis(2-pyridylmethyl)benzene-1,3-dicarboxamide CAS Name: 5-nitro-N1,N3-bis(2-pyridinylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 5-nitro-1-N,3-N-bis(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: 5-nitro-N,N'-bis(2-pyridylmethyl)isophthalamide Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=N3

InChI

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