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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C17H11N2O5- MolecularWeight: 323.27964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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