N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-nitro-benzamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-nitro-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2-nitro-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-nitrobenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2-nitrobenzamide Traditional Name: N-[4-(2,4-ditert-amyloxyphenyl)butyl]-2-nitro-benzamide Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC=CC=C2[N+](=O)[O-])OC(C)(C)CC

Isomeric SMILES

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C2=CC=CC=C2[N+](=O)[O-])OC(C)(C)CC

InChI

InChI=1S/C27H38N2O5/c1-7-26(3,4)33-21-17-16-20(24(19-21)34-27(5,6)8-2)13-11-12-18-28-25(30)22-14-9-10-15-23(22)29(31)32/h9-10,14-17,19H,7-8,11-13,18H2,1-6H3,(H,28,30)