6-oxidanylhexyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 6-oxidanylhexyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 6-hydroxyhexyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 6-hydroxyhexyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-13(20)16(17(21)24-10-5-3-2-4-9-19)12-14-7-6-8-15(11-14)18(22)23/h6-8,11-12,19H,2-5,9-10H2,1H3/b16-12+