4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C14H11N2O6- MolecularWeight: 303.24694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C(=O)OCC=C

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)OCC=C

InChI

InChI=1S/C14H12N2O6/c1-3-4-22-14(18)10(8-15)5-9-6-11(16(19)20)13(17)12(7-9)21-2/h3,5-7,17H,1,4H2,2H3/p-1/b10-5+