tert-butyl N-[2-(4-tert-butyl-2,6-dinitro-3-sulfanyl-phenyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(4-tert-butyl-2,6-dinitro-3-sulfanyl-phenyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(4-tert-butyl-2,6-dinitro-3-sulfanyl-phenyl)ethyl]carbamate CAS Name: N-[2-(4-tert-butyl-3-mercapto-2,6-dinitrophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4-tert-butyl-2,6-dinitro-3-sulfanylphenyl)ethyl]carbamate Traditional Name: N-[2-(4-tert-butyl-3-mercapto-2,6-dinitro-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1S)[N+](=O)[O-])CCNC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1S)[N+](=O)[O-])CCNC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c1-16(2,3)11-9-12(19(22)23)10(13(14(11)27)20(24)25)7-8-18-15(21)26-17(4,5)6/h9,27H,7-8H2,1-6H3,(H,18,21)