tert-butyl 3-(2-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: tert-butyl 3-(2-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: tert-butyl 3-(4-hydroxy-2-nitro-phenyl)propanoate CAS Name: 3-(4-hydroxy-2-nitrophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxy-2-nitrophenyl)propanoate Traditional Name: 3-(4-hydroxy-2-nitro-phenyl)propionic acid tert-butyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=C(C=C(C=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=C(C=C(C=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-13(2,3)19-12(16)7-5-9-4-6-10(15)8-11(9)14(17)18/h4,6,8,15H,5,7H2,1-3H3