4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2-nitro-phenolate

Systemtic Name: 4-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-2-nitro-phenolate Openeye Name: 4-(2-acetyl-3-oxo-but-1-enyl)-2-nitro-phenolate CAS Name: 4-(2-acetyl-3-oxobut-1-enyl)-2-nitrophenolate IUPAC Name: 4-(2-acetyl-3-oxobut-1-enyl)-2-nitrophenolate Traditional Name: 4-(2-acetyl-3-keto-but-1-enyl)-2-nitro-phenolate Formula: C12H10NO5- MolecularWeight: 248.2115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c1-7(14)10(8(2)15)5-9-3-4-12(16)11(6-9)13(17)18/h3-6,16H,1-2H3/p-1