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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-2,4-dinitro-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-2,4-dinitrobenzamide Traditional Name: N-[4-(2,4-ditert-amyloxyphenyl)butyl]-2,4-dinitro-benzamide Formula: C27H37N3O7 MolecularWeight: 515.59858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O7/c1-7-26(3,4)36-21-14-12-19(24(18-21)37-27(5,6)8-2)11-9-10-16-28-25(31)22-15-13-20(29(32)33)17-23(22)30(34)35/h12-15,17-18H,7-11,16H2,1-6H3,(H,28,31)