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

Systemtic Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-methoxyphenyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C18H13N2O6- MolecularWeight: 353.30562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14N2O6/c1-25-15-6-4-3-5-13(15)17(21)12(10-19)7-11-8-14(20(23)24)18(22)16(9-11)26-2/h3-9,22H,1-2H3/p-1/b12-7+