2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-oxidanylidene-3H-pyran-6-olate

Systemtic Name: 2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-oxidanylidene-3H-pyran-6-olate Openeye Name: 2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-6-olate CAS Name: 2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-6-olate IUPAC Name: 2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-6-olate Traditional Name: 2-cyclopentyl-5-diazonio-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-3H-pyran-6-olate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(=C(O2)[O-])[N+]#N)CCC3=CC=C(C=C3)O

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(=C(O2)[O-])[N+]#N)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C18H20N2O4/c19-20-16-15(22)11-18(24-17(16)23,13-3-1-2-4-13)10-9-12-5-7-14(21)8-6-12/h5-8,13H,1-4,9-11H2,(H-,21,22,23)