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

Systemtic Name: 5-nitro-N1,N3-bis[2-[2-(phenylmethyl)phenoxy]ethyl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(2-benzylphenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: 5-nitro-N1,N3-bis[2-[2-(phenylmethyl)phenoxy]ethyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(2-benzylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(2-benzylphenoxy)ethyl]-5-nitro-isophthalamide Formula: C38H35N3O6 MolecularWeight: 629.701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2OCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NCCOC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2OCCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NCCOC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C38H35N3O6/c42-37(39-19-21-46-35-17-9-7-15-30(35)23-28-11-3-1-4-12-28)32-25-33(27-34(26-32)41(44)45)38(43)40-20-22-47-36-18-10-8-16-31(36)24-29-13-5-2-6-14-29/h1-18,25-27H,19-24H2,(H,39,42)(H,40,43)