(E)-3-(4-chlorophenyl)-N'-oxidanyl-prop-2-enimidamide hydrate

Systemtic Name: (E)-3-(4-chlorophenyl)-N'-oxidanyl-prop-2-enimidamide hydrate Openeye Name: (E)-3-(4-chlorophenyl)-N'-hydroxy-prop-2-enamidine hydrate CAS Name: (E)-3-(4-chlorophenyl)-N'-hydroxy-2-propenimidamide hydrate IUPAC Name: (E)-3-(4-chlorophenyl)-N'-hydroxyprop-2-enimidamide hydrate Traditional Name: (E)-3-(4-chlorophenyl)-N'-hydroxy-acrylamidine hydrate Formula: C9H11ClN2O2 MolecularWeight: 214.64884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=NO)N)Cl.O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=N/O)/N)Cl.O

InChI

InChI=1S/C9H9ClN2O.H2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13;/h1-6,13H,(H2,11,12);1H2/b6-3+;