N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,5-dinitro-benzamide CAS Name: N-(2-furanylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-3,5-dinitrobenzamide Traditional Name: N-(2-furfuryl)-N-[4-(methylcarbamoyl)benzyl]-3,5-dinitro-benzamide Formula: C21H18N4O7 MolecularWeight: 438.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-22-20(26)15-6-4-14(5-7-15)12-23(13-19-3-2-8-32-19)21(27)16-9-17(24(28)29)11-18(10-16)25(30)31/h2-11H,12-13H2,1H3,(H,22,26)