dimethyl phosphate; (E)-4-[(2-methyl-5-nitro-phenyl)methoxy]-4-oxidanyl-but-3-en-2-one

Systemtic Name: dimethyl phosphate; (E)-4-[(2-methyl-5-nitro-phenyl)methoxy]-4-oxidanyl-but-3-en-2-one Openeye Name: dimethyl phosphate; (E)-4-hydroxy-4-[(2-methyl-5-nitro-phenyl)methoxy]but-3-en-2-one CAS Name: dimethyl phosphate; (E)-4-hydroxy-4-[(2-methyl-5-nitrophenyl)methoxy]-3-buten-2-one IUPAC Name: dimethyl phosphate; (E)-4-hydroxy-4-[(2-methyl-5-nitrophenyl)methoxy]but-3-en-2-one Traditional Name: dimethyl phosphate; (E)-4-hydroxy-4-(2-methyl-5-nitro-benzyl)oxy-but-3-en-2-one Formula: C14H19NO9P- MolecularWeight: 376.275721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])COC(=CC(=O)C)O.COP(=O)([O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CO/C(=C/C(=O)C)/O.COP(=O)([O-])OC

InChI

InChI=1S/C12H13NO5.C2H7O4P/c1-8-3-4-11(13(16)17)6-10(8)7-18-12(15)5-9(2)14;1-5-7(3,4)6-2/h3-6,15H,7H2,1-2H3;1-2H3,(H,3,4)/p-1/b12-5+;