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

Systemtic Name: dimethyl phosphate; (E)-4-[1-(3-nitrophenyl)ethoxy]-4-oxidanyl-but-3-en-2-one Openeye Name: dimethyl phosphate; (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one CAS Name: dimethyl phosphate; (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]-3-buten-2-one IUPAC Name: dimethyl phosphate; (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one Traditional Name: dimethyl phosphate; (E)-4-hydroxy-4-[1-(3-nitrophenyl)ethoxy]but-3-en-2-one Formula: C14H19NO9P- MolecularWeight: 376.275721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5.C2H7O4P/c1-8(14)6-12(15)18-9(2)10-4-3-5-11(7-10)13(16)17;1-5-7(3,4)6-2/h3-7,9,15H,1-2H3;1-2H3,(H,3,4)/p-1/b12-6+;