tert-butyl N-[2-[2-nitro-4,5-bis(oxidanyl)phenyl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-nitro-4,5-bis(oxidanyl)phenyl]ethyl]carbamate Openeye Name: tert-butyl N-[2-(4,5-dihydroxy-2-nitro-phenyl)ethyl]carbamate CAS Name: N-[2-(4,5-dihydroxy-2-nitrophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4,5-dihydroxy-2-nitrophenyl)ethyl]carbamate Traditional Name: N-[2-(4,5-dihydroxy-2-nitro-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1[N+](=O)[O-])O)O

InChI

InChI=1S/C13H18N2O6/c1-13(2,3)21-12(18)14-5-4-8-6-10(16)11(17)7-9(8)15(19)20/h6-7,16-17H,4-5H2,1-3H3,(H,14,18)