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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-thienyl)prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C15H9N2O5S- MolecularWeight: 329.30736

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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=CS2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(\C#N)/C(=O)C2=CC=CS2

InChI

InChI=1S/C15H10N2O5S/c1-22-12-7-9(6-11(15(12)19)17(20)21)5-10(8-16)14(18)13-3-2-4-23-13/h2-7,19H,1H3/p-1/b10-5+