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

Systemtic Name: N1,N3-bis[2-(4-chloranyl-2-methyl-phenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(4-chloro-2-methyl-phenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-(4-chloro-2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(4-chloro-2-methylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(4-chloro-2-methyl-phenoxy)ethyl]-5-nitro-isophthalamide Formula: C26H25Cl2N3O6 MolecularWeight: 546.3992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25Cl2N3O6/c1-16-11-20(27)3-5-23(16)36-9-7-29-25(32)18-13-19(15-22(14-18)31(34)35)26(33)30-8-10-37-24-6-4-21(28)12-17(24)2/h3-6,11-15H,7-10H2,1-2H3,(H,29,32)(H,30,33)