(Z)-(2-azanylideneisoquinolin-2-ium-3-ylidene)-ethoxy-methanolate

Systemtic Name: (Z)-(2-azanylideneisoquinolin-2-ium-3-ylidene)-ethoxy-methanolate Openeye Name: (Z)-ethoxy-(2-iminoisoquinolin-2-ium-3-ylidene)methanolate CAS Name: (Z)-ethoxy-(2-imino-3-isoquinolin-2-iumylidene)methanolate IUPAC Name: (Z)-ethoxy-(2-iminoisoquinolin-2-ium-3-ylidene)methanolate Traditional Name: (Z)-ethoxy-(2-iminoisoquinolin-2-ium-3-ylidene)methanolate Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C=C2C=CC=CC2=C[N+]1=N)[O-]

Isomeric SMILES

CCO/C(=C\1/C=C2C=CC=CC2=C[N+]1=N)/[O-]

InChI

InChI=1S/C12H12N2O2/c1-2-16-12(15)11-7-9-5-3-4-6-10(9)8-14(11)13/h3-8H,2H2,1H3,(H-,13,15)