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

Systemtic Name: prop-2-enyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: allyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid allyl ester Formula: C14H13NO5 MolecularWeight: 275.25672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5/c1-3-7-20-14(17)13(10(2)16)9-11-5-4-6-12(8-11)15(18)19/h3-6,8-9H,1,7H2,2H3/b13-9+