N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(4-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(4-methylphenoxy)ethyl]-5-nitro-isophthalamide Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCCOC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCCOC3=CC=C(C=C3)C

InChI

InChI=1S/C26H27N3O6/c1-18-3-7-23(8-4-18)34-13-11-27-25(30)20-15-21(17-22(16-20)29(32)33)26(31)28-12-14-35-24-9-5-19(2)6-10-24/h3-10,15-17H,11-14H2,1-2H3,(H,27,30)(H,28,31)