N1,N3-bis(4-butan-2-ylphenyl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(4-butan-2-ylphenyl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: 5-nitro-N1,N3-bis(4-sec-butylphenyl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(4-butan-2-ylphenyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(4-butan-2-ylphenyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: 5-nitro-N,N'-bis(4-sec-butylphenyl)isophthalamide Formula: C28H31N3O4 MolecularWeight: 473.56344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(C)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(C)CC

InChI

InChI=1S/C28H31N3O4/c1-5-18(3)20-7-11-24(12-8-20)29-27(32)22-15-23(17-26(16-22)31(34)35)28(33)30-25-13-9-21(10-14-25)19(4)6-2/h7-19H,5-6H2,1-4H3,(H,29,32)(H,30,33)