3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl N-(4-chloranyl-3-nitro-phenyl)carbamate

Systemtic Name: 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl N-(4-chloranyl-3-nitro-phenyl)carbamate Openeye Name: 3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl N-(4-chloro-3-nitro-phenyl)carbamate CAS Name: N-(4-chloro-3-nitrophenyl)carbamic acid 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl ester IUPAC Name: 3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl N-(4-chloro-3-nitrophenyl)carbamate Traditional Name: N-(4-chloro-3-nitro-phenyl)carbamic acid 3-(2,4-ditert-amylphenoxy)propyl ester Formula: C26H35ClN2O5 MolecularWeight: 491.0195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C26H35ClN2O5/c1-7-25(3,4)18-10-13-23(20(16-18)26(5,6)8-2)33-14-9-15-34-24(30)28-19-11-12-21(27)22(17-19)29(31)32/h10-13,16-17H,7-9,14-15H2,1-6H3,(H,28,30)