(E)-4-[1-(3-nitrophenyl)ethoxy]-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-[1-(3-nitrophenyl)ethoxy]-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one CAS Name: (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]-3-buten-2-one IUPAC Name: (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one Traditional Name: (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(14)6-12(15)18-9(2)10-4-3-5-11(7-10)13(16)17/h3-7,9,15H,1-2H3/b12-6+