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

Systemtic Name: 4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C13H11N2O5- MolecularWeight: 275.23684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-8(2)20-13(17)10(7-14)5-9-3-4-12(16)11(6-9)15(18)19/h3-6,8,16H,1-2H3/p-1/b10-5+