(E)-(2-methylpropan-2-yl)oxy-(3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate

Systemtic Name: (E)-(2-methylpropan-2-yl)oxy-(3-oxidanylidene-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate Openeye Name: (E)-tert-butoxy-(3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate CAS Name: (E)-(2-methylpropan-2-yl)oxy-(3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate IUPAC Name: (E)-(2-methylpropan-2-yl)oxy-(3-oxo-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate Traditional Name: (E)-tert-butoxy-(3-keto-1,2-dihydroquinolizin-5-ium-4-ylidene)methanolate Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=C1C(=O)CCC2=CC=CC=[N+]21)[O-]

Isomeric SMILES

CC(C)(C)O/C(=C/1\C(=O)CCC2=CC=CC=[N+]21)/[O-]

InChI

InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)12-11(16)8-7-10-6-4-5-9-15(10)12/h4-6,9H,7-8H2,1-3H3