N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-4-chloranyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-4-chloranyl-3,5-dinitro-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-4-chloro-3,5-dinitro-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-4-chloro-3,5-dinitrobenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-4-chloro-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-[4-(2,4-ditert-amyloxyphenyl)butyl]-3,5-dinitro-benzamide Formula: C27H36ClN3O7 MolecularWeight: 550.04364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN3O7/c1-7-26(3,4)37-20-13-12-18(23(17-20)38-27(5,6)8-2)11-9-10-14-29-25(32)19-15-21(30(33)34)24(28)22(16-19)31(35)36/h12-13,15-17H,7-11,14H2,1-6H3,(H,29,32)