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

Systemtic Name: N1,N3-bis[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-5-nitro-isophthalamide Formula: C32H39N3O6 MolecularWeight: 561.66856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O6/c1-20(2)27-9-7-22(5)15-29(27)40-13-11-33-31(36)24-17-25(19-26(18-24)35(38)39)32(37)34-12-14-41-30-16-23(6)8-10-28(30)21(3)4/h7-10,15-21H,11-14H2,1-6H3,(H,33,36)(H,34,37)