(E)-2-diazonio-1-ethoxy-3-[2-fluoranyl-5-(morpholin-4-ylmethyl)phenyl]-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-3-[2-fluoranyl-5-(morpholin-4-ylmethyl)phenyl]-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-3-[2-fluoro-5-(morpholinomethyl)phenyl]-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[2-fluoro-5-(4-morpholinylmethyl)phenyl]-3-oxo-1-propen-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-3-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-oxoprop-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-3-[2-fluoro-5-(morpholinomethyl)phenyl]-3-keto-prop-1-en-1-olate Formula: C16H18FN3O4 MolecularWeight: 335.330223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=C(C=CC(=C1)CN2CCOCC2)F)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(\C(=O)C1=C(C=CC(=C1)CN2CCOCC2)F)/[N+]#N)/[O-]

InChI

InChI=1S/C16H18FN3O4/c1-2-24-16(22)14(19-18)15(21)12-9-11(3-4-13(12)17)10-20-5-7-23-8-6-20/h3-4,9H,2,5-8,10H2,1H3