N1,N3-bis[(4-methyl-3-nitro-phenyl)methyl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[(4-methyl-3-nitro-phenyl)methyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[(4-methyl-3-nitro-phenyl)methyl]benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[(4-methyl-3-nitrophenyl)methyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[(4-methyl-3-nitrophenyl)methyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(4-methyl-3-nitro-benzyl)isophthalamide Formula: C24H22N4O6 MolecularWeight: 462.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)C(=O)NCC3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CC(=CC=C2)C(=O)NCC3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O6/c1-15-6-8-17(10-21(15)27(31)32)13-25-23(29)19-4-3-5-20(12-19)24(30)26-14-18-9-7-16(2)22(11-18)28(33)34/h3-12H,13-14H2,1-2H3,(H,25,29)(H,26,30)