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

Systemtic Name: N1,N3-bis[2-(3,4-dimethylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(3,4-dimethylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-(3,4-dimethylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(3,4-dimethylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(3,4-dimethylphenoxy)ethyl]-5-nitro-isophthalamide Formula: C28H31N3O6 MolecularWeight: 505.56224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O6/c1-18-5-7-25(13-20(18)3)36-11-9-29-27(32)22-15-23(17-24(16-22)31(34)35)28(33)30-10-12-37-26-8-6-19(2)21(4)14-26/h5-8,13-17H,9-12H2,1-4H3,(H,29,32)(H,30,33)