2-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(4-morpholinophenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-[4-(4-morpholinyl)phenyl]-2-oxoacetaldehyde hydrate IUPAC Name: 2-(4-morpholin-4-ylphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-keto-2-(4-morpholinophenyl)acetaldehyde hydrate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)C=O.O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)C=O.O

InChI

InChI=1S/C12H13NO3.H2O/c14-9-12(15)10-1-3-11(4-2-10)13-5-7-16-8-6-13;/h1-4,9H,5-8H2;1H2