2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-[nitro(phenyl)methyl]-4-oxo-4-phenyl-butanoic acid CAS Name: 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-2-[nitro(phenyl)methyl]-4-phenyl-butyric acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CC(=O)C2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(CC(=O)C2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5/c19-15(12-7-3-1-4-8-12)11-14(17(20)21)16(18(22)23)13-9-5-2-6-10-13/h1-10,14,16H,11H2,(H,20,21)