[(2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [(2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-butyl] ethanoate Openeye Name: [(2E)-2-[(4-nitrophenyl)methylene]-3-oxo-butyl] acetate CAS Name: acetic acid [(2E)-2-[(4-nitrophenyl)methylidene]-3-oxobutyl] ester IUPAC Name: [(2E)-2-[(4-nitrophenyl)methylidene]-3-oxobutyl] acetate Traditional Name: acetic acid [(E)-2-acetyl-3-(4-nitrophenyl)allyl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-9(15)12(8-19-10(2)16)7-11-3-5-13(6-4-11)14(17)18/h3-7H,8H2,1-2H3/b12-7+