N1,N3-bis[3-(diethylamino)propyl]-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[3-(diethylamino)propyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[3-(diethylamino)propyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[3-(diethylamino)propyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[3-(diethylamino)propyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[3-(diethylamino)propyl]-5-nitro-isophthalamide Formula: C22H37N5O4 MolecularWeight: 435.56028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN(CC)CC

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN(CC)CC

InChI

InChI=1S/C22H37N5O4/c1-5-25(6-2)13-9-11-23-21(28)18-15-19(17-20(16-18)27(30)31)22(29)24-12-10-14-26(7-3)8-4/h15-17H,5-14H2,1-4H3,(H,23,28)(H,24,29)