tert-butyl 2-(3-methyl-4-nitro-5-oxidanyl-phenyl)ethanoate

Systemtic Name: tert-butyl 2-(3-methyl-4-nitro-5-oxidanyl-phenyl)ethanoate Openeye Name: tert-butyl 2-(3-hydroxy-5-methyl-4-nitro-phenyl)acetate CAS Name: 2-(3-hydroxy-5-methyl-4-nitrophenyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-hydroxy-5-methyl-4-nitrophenyl)acetate Traditional Name: 2-(3-hydroxy-5-methyl-4-nitro-phenyl)acetic acid tert-butyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(=O)OC(C)(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(=O)OC(C)(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c1-8-5-9(6-10(15)12(8)14(17)18)7-11(16)19-13(2,3)4/h5-6,15H,7H2,1-4H3