4-(4-nitrophenyl)-4-oxidanyl-but-2-ynoic acid

Systemtic Name: 4-(4-nitrophenyl)-4-oxidanyl-but-2-ynoic acid Openeye Name: 4-hydroxy-4-(4-nitrophenyl)but-2-ynoic acid CAS Name: 4-hydroxy-4-(4-nitrophenyl)-2-butynoic acid IUPAC Name: 4-hydroxy-4-(4-nitrophenyl)but-2-ynoic acid Traditional Name: 4-hydroxy-4-(4-nitrophenyl)but-2-ynoic acid Formula: C10H7NO5 MolecularWeight: 221.16628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#CC(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C#CC(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H7NO5/c12-9(5-6-10(13)14)7-1-3-8(4-2-7)11(15)16/h1-4,9,12H,(H,13,14)