tert-butyl (E)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: tert-butyl (E)-3-(5-nitro-2-oxidanyl-phenyl)prop-2-enoate Openeye Name: tert-butyl (E)-3-(2-hydroxy-5-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(2-hydroxy-5-nitrophenyl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-hydroxy-5-nitro-phenyl)acrylic acid tert-butyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-13(2,3)19-12(16)7-4-9-8-10(14(17)18)5-6-11(9)15/h4-8,15H,1-3H3/b7-4+