3-ethoxycarbonyl-2-phenyl-isoquinolin-2-ium-4-olate

Systemtic Name: 3-ethoxycarbonyl-2-phenyl-isoquinolin-2-ium-4-olate Openeye Name: 3-ethoxycarbonyl-2-phenyl-isoquinolin-2-ium-4-olate CAS Name: 3-ethoxycarbonyl-2-phenyl-4-isoquinolin-2-iumolate IUPAC Name: 3-ethoxycarbonyl-2-phenylisoquinolin-2-ium-4-olate Traditional Name: 3-carbethoxy-2-phenyl-isoquinolin-2-ium-4-olate Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C=[N+]1C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C=[N+]1C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H15NO3/c1-2-22-18(21)16-17(20)15-11-7-6-8-13(15)12-19(16)14-9-4-3-5-10-14/h3-12H,2H2,1H3