tert-butyl (2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: tert-butyl (2E)-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: tert-butyl (2E)-6-hydroxy-2-[(4-nitrophenyl)methylene]-3-oxo-hexanoate CAS Name: (2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxohexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-3-oxohexanoate Traditional Name: (E)-2-(4-hydroxybutanoyl)-3-(4-nitrophenyl)acrylic acid tert-butyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-17(2,3)24-16(21)14(15(20)5-4-10-19)11-12-6-8-13(9-7-12)18(22)23/h6-9,11,19H,4-5,10H2,1-3H3/b14-11+