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

Systemtic Name: hexyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: hexyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid hexyl ester IUPAC Name: hexyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(3-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/c1-3-4-5-6-10-23-17(20)16(13(2)19)12-14-8-7-9-15(11-14)18(21)22/h7-9,11-12H,3-6,10H2,1-2H3/b16-12-