(E)-2-cyano-2-isoquinolin-2-ium-2-yl-1-[(2-nitrophenyl)amino]ethenolate

Systemtic Name: (E)-2-cyano-2-isoquinolin-2-ium-2-yl-1-[(2-nitrophenyl)amino]ethenolate Openeye Name: (E)-2-cyano-2-isoquinolin-2-ium-2-yl-1-(2-nitroanilino)ethenolate CAS Name: (E)-2-cyano-2-(2-isoquinolin-2-iumyl)-1-(2-nitroanilino)ethenolate IUPAC Name: (E)-2-cyano-2-isoquinolin-2-ium-2-yl-1-(2-nitroanilino)ethenolate Traditional Name: (E)-2-cyano-2-isoquinolin-2-ium-2-yl-1-(2-nitroanilino)ethenolate Formula: C18H12N4O3 MolecularWeight: 332.31288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C(=C(NC3=CC=CC=C3[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)/C(=C(\NC3=CC=CC=C3[N+](=O)[O-])/[O-])/C#N

InChI

InChI=1S/C18H12N4O3/c19-11-17(21-10-9-13-5-1-2-6-14(13)12-21)18(23)20-15-7-3-4-8-16(15)22(24)25/h1-10,12,20H/b18-17+