1-tert-butyl-3-[2-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-urea

Systemtic Name: 1-tert-butyl-3-[2-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-tert-butyl-3-[2-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-tert-butyl-3-[2-(4-chloro-3-methylphenoxy)-5-nitrophenyl]sulfonylurea IUPAC Name: 1-tert-butyl-3-[2-(4-chloro-3-methylphenoxy)-5-nitrophenyl]sulfonylurea Traditional Name: 1-tert-butyl-3-[2-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-urea Formula: C18H20ClN3O6S MolecularWeight: 441.8859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C)Cl

InChI

InChI=1S/C18H20ClN3O6S/c1-11-9-13(6-7-14(11)19)28-15-8-5-12(22(24)25)10-16(15)29(26,27)21-17(23)20-18(2,3)4/h5-10H,1-4H3,(H2,20,21,23)