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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-5-chloranyl-2-nitro-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-5-chloro-2-nitro-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-5-chloro-2-nitrobenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-5-chloro-2-nitrobenzamide Traditional Name: 5-chloro-N-[4-(2,4-ditert-amyloxyphenyl)butyl]-2-nitro-benzamide Formula: C27H37ClN2O5 MolecularWeight: 505.04608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClN2O5/c1-7-26(3,4)34-21-14-12-19(24(18-21)35-27(5,6)8-2)11-9-10-16-29-25(31)22-17-20(28)13-15-23(22)30(32)33/h12-15,17-18H,7-11,16H2,1-6H3,(H,29,31)