1-[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]-4-nitro-2-oxidanyl-phenyl]-3-(4-cyanophenyl)urea

Systemtic Name: 1-[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]-4-nitro-2-oxidanyl-phenyl]-3-(4-cyanophenyl)urea Openeye Name: 1-[5-[2,4-bis(1,1-dimethylpropyl)phenoxy]-2-hydroxy-4-nitro-phenyl]-3-(4-cyanophenyl)urea CAS Name: 1-[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxy-4-nitrophenyl]-3-(4-cyanophenyl)urea IUPAC Name: 1-[5-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-hydroxy-4-nitrophenyl]-3-(4-cyanophenyl)urea Traditional Name: 1-(4-cyanophenyl)-3-[5-(2,4-ditert-amylphenoxy)-2-hydroxy-4-nitro-phenyl]urea Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NC(=O)NC3=CC=C(C=C3)C#N)O)[N+](=O)[O-])C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)NC(=O)NC3=CC=C(C=C3)C#N)O)[N+](=O)[O-])C(C)(C)CC

InChI

InChI=1S/C30H34N4O5/c1-7-29(3,4)20-11-14-26(22(15-20)30(5,6)8-2)39-27-16-23(25(35)17-24(27)34(37)38)33-28(36)32-21-12-9-19(18-31)10-13-21/h9-17,35H,7-8H2,1-6H3,(H2,32,33,36)