N1,N3-dihexyl-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-dihexyl-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-dihexyl-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-dihexyl-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-dihexyl-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-dihexyl-5-nitro-isophthalamide Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCC

InChI

InChI=1S/C20H31N3O4/c1-3-5-7-9-11-21-19(24)16-13-17(15-18(14-16)23(26)27)20(25)22-12-10-8-6-4-2/h13-15H,3-12H2,1-2H3,(H,21,24)(H,22,25)