3-cyano-3-(4-nitrophenyl)-2-oxidanylidene-butanoic acid

Systemtic Name: 3-cyano-3-(4-nitrophenyl)-2-oxidanylidene-butanoic acid Openeye Name: 3-cyano-3-(4-nitrophenyl)-2-oxo-butanoic acid CAS Name: 3-cyano-3-(4-nitrophenyl)-2-oxobutanoic acid IUPAC Name: 3-cyano-3-(4-nitrophenyl)-2-oxobutanoic acid Traditional Name: 3-cyano-2-keto-3-(4-nitrophenyl)butyric acid Formula: C11H8N2O5 MolecularWeight: 248.19162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N2O5/c1-11(6-12,9(14)10(15)16)7-2-4-8(5-3-7)13(17)18/h2-5H,1H3,(H,15,16)