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

Systemtic Name: 3-acetyloxypropyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 3-acetoxypropyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 3-acetyloxypropyl ester IUPAC Name: 3-acetyloxypropyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 3-acetoxypropyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-11(18)15(16(20)24-8-4-7-23-12(2)19)10-13-5-3-6-14(9-13)17(21)22/h3,5-6,9-10H,4,7-8H2,1-2H3/b15-10+