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

Systemtic Name: 4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(4-methoxyphenyl)prop-1-enyl]-2-nitro-phenolate Formula: C17H11N2O5- MolecularWeight: 323.27964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H12N2O5/c1-24-14-5-3-12(4-6-14)17(21)13(10-18)8-11-2-7-16(20)15(9-11)19(22)23/h2-9,20H,1H3/p-1/b13-8+