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

Systemtic Name: oxolan-2-ylmethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: tetrahydrofuran-2-ylmethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid tetrahydrofurfuryl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCC2CCCO2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCC2CCCO2

InChI

InChI=1S/C16H17NO6/c1-11(18)15(16(19)23-10-14-6-3-7-22-14)9-12-4-2-5-13(8-12)17(20)21/h2,4-5,8-9,14H,3,6-7,10H2,1H3/b15-9+