4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile CAS Name: 4-[(5-nitro-1-quinolin-1-iumyl)methyl]benzonitrile IUPAC Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile Formula: C17H12N3O2+ MolecularWeight: 290.29608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=[N+]2CC3=CC=C(C=C3)C#N)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=[N+]2CC3=CC=C(C=C3)C#N)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H12N3O2/c18-11-13-6-8-14(9-7-13)12-19-10-2-3-15-16(19)4-1-5-17(15)20(21)22/h1-10H,12H2/q+1