(E)-2-(5-methoxy-2-nitro-phenyl)-3-oxidanyl-prop-2-enal hydrate

Systemtic Name: (E)-2-(5-methoxy-2-nitro-phenyl)-3-oxidanyl-prop-2-enal hydrate Openeye Name: (E)-3-hydroxy-2-(5-methoxy-2-nitro-phenyl)prop-2-enal hydrate CAS Name: (E)-3-hydroxy-2-(5-methoxy-2-nitrophenyl)-2-propenal hydrate IUPAC Name: (E)-3-hydroxy-2-(5-methoxy-2-nitrophenyl)prop-2-enal hydrate Traditional Name: (E)-3-hydroxy-2-(5-methoxy-2-nitro-phenyl)acrolein hydrate Formula: C10H11NO6 MolecularWeight: 241.19744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=CO)C=O.O

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])/C(=C\O)/C=O.O

InChI

InChI=1S/C10H9NO5.H2O/c1-16-8-2-3-10(11(14)15)9(4-8)7(5-12)6-13;/h2-6,12H,1H3;1H2/b7-5-;