[2-methylidene-1-(4-nitrophenyl)-3-oxidanylidene-butyl] ethanoate

Systemtic Name: [2-methylidene-1-(4-nitrophenyl)-3-oxidanylidene-butyl] ethanoate Openeye Name: [2-methylene-1-(4-nitrophenyl)-3-oxo-butyl] acetate CAS Name: acetic acid [2-methylene-1-(4-nitrophenyl)-3-oxobutyl] ester IUPAC Name: [2-methylidene-1-(4-nitrophenyl)-3-oxobutyl] acetate Traditional Name: acetic acid [2-acetyl-1-(4-nitrophenyl)allyl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-8(9(2)15)13(19-10(3)16)11-4-6-12(7-5-11)14(17)18/h4-7,13H,1H2,2-3H3