hexyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-3-4-5-8-11-23-17(20)15(13(2)19)12-14-9-6-7-10-16(14)18(21)22/h6-7,9-10,12H,3-5,8,11H2,1-2H3/b15-12-