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

Systemtic Name: N1,N3-diheptyl-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-diheptyl-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-diheptyl-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-diheptyl-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-diheptyl-5-nitro-isophthalamide Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCC

Isomeric SMILES

CCCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCCCC

InChI

InChI=1S/C22H35N3O4/c1-3-5-7-9-11-13-23-21(26)18-15-19(17-20(16-18)25(28)29)22(27)24-14-12-10-8-6-4-2/h15-17H,3-14H2,1-2H3,(H,23,26)(H,24,27)