3,3-dimethylbutyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 3,3-dimethylbutyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 3,3-dimethylbutyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 3,3-dimethylbutyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-12(19)15(16(20)23-9-8-17(2,3)4)11-13-6-5-7-14(10-13)18(21)22/h5-7,10-11H,8-9H2,1-4H3/b15-11+