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

Systemtic Name: 4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(2-methoxyethoxy)prop-1-enyl]-2-nitro-phenolate Formula: C13H11N2O6- MolecularWeight: 291.23624

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O6/c1-20-4-5-21-13(17)10(8-14)6-9-2-3-12(16)11(7-9)15(18)19/h2-3,6-7,16H,4-5H2,1H3/p-1/b10-6+