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

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloranyl-4-nitro-benzamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-3-chloro-4-nitro-benzamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloro-4-nitrobenzamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-chloro-4-nitrobenzamide Traditional Name: 3-chloro-N-[4-(2,4-ditert-amyloxyphenyl)butyl]-4-nitro-benzamide Formula: C27H37ClN2O5 MolecularWeight: 505.04608

Click to see the large picture

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)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)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)20-13-15-23(30(32)33)22(28)17-20/h12-15,17-18H,7-11,16H2,1-6H3,(H,29,31)