4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxidanylidene-but-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxo-but-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-[2-methoxyethoxy(oxo)methyl]-3-oxobut-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-(2-methoxyethoxycarbonyl)-3-oxobut-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-keto-2-(2-methoxyethoxycarbonyl)but-1-enyl]-2-nitro-phenolate Formula: C14H14NO7- MolecularWeight: 308.26346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=C(C=C1)[O-])[N+](=O)[O-])/C(=O)OCCOC

InChI

InChI=1S/C14H15NO7/c1-9(16)11(14(18)22-6-5-21-2)7-10-3-4-13(17)12(8-10)15(19)20/h3-4,7-8,17H,5-6H2,1-2H3/p-1/b11-7+