(4E)-1-(3-nitrophenyl)-4-(1-oxidanylethylidene)hexane-1,5-dione

Systemtic Name: (4E)-1-(3-nitrophenyl)-4-(1-oxidanylethylidene)hexane-1,5-dione Openeye Name: (4E)-4-(1-hydroxyethylidene)-1-(3-nitrophenyl)hexane-1,5-dione CAS Name: (4E)-4-(1-hydroxyethylidene)-1-(3-nitrophenyl)hexane-1,5-dione IUPAC Name: (4E)-4-(1-hydroxyethylidene)-1-(3-nitrophenyl)hexane-1,5-dione Traditional Name: (4E)-4-(1-hydroxyethylidene)-1-(3-nitrophenyl)hexane-1,5-dione Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-9(16)13(10(2)17)6-7-14(18)11-4-3-5-12(8-11)15(19)20/h3-5,8,16H,6-7H2,1-2H3/b13-9+