N1,N3-bis(4-butylphenyl)-5-nitro-benzene-1,3-dicarboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)CCCC

InChI

InChI=1S/C28H31N3O4/c1-3-5-7-20-9-13-24(14-10-20)29-27(32)22-17-23(19-26(18-22)31(34)35)28(33)30-25-15-11-21(12-16-25)8-6-4-2/h9-19H,3-8H2,1-2H3,(H,29,32)(H,30,33)