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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O5/c1-24-16-5-3-2-4-13(16)17(21)12(10-18)8-11-6-7-15(20)14(9-11)19(22)23/h2-9,20H,1H3/p-1/b12-8+