4-[4-(3-nitrophenyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-nitrophenyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-nitrophenyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-nitrophenyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-nitrophenyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(3-nitrophenyl)phenyl]butyric acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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