2-(4-nitrophenyl)-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-(4-nitrophenyl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-(4-nitrophenyl)-4-oxo-4-phenyl-butanoic acid CAS Name: 2-(4-nitrophenyl)-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-(4-nitrophenyl)-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-2-(4-nitrophenyl)-4-phenyl-butyric acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5/c18-15(12-4-2-1-3-5-12)10-14(16(19)20)11-6-8-13(9-7-11)17(21)22/h1-9,14H,10H2,(H,19,20)