4-[2-(chloromethyl)-3-oxidanidyl-quinazolin-3-ium-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(chloromethyl)-3-oxidanidyl-quinazolin-3-ium-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(chloromethyl)-3-oxido-quinazolin-3-ium-4-yl]benzonitrile CAS Name: 4-[2-(chloromethyl)-3-oxido-4-quinazolin-3-iumyl]benzonitrile IUPAC Name: 4-[2-(chloromethyl)-3-oxidoquinazolin-3-ium-4-yl]benzonitrile Traditional Name: 4-[2-(chloromethyl)-3-oxido-quinazolin-3-ium-4-yl]benzonitrile Formula: C16H10ClN3O MolecularWeight: 295.7231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=[N+](C(=N2)CCl)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H10ClN3O/c17-9-15-19-14-4-2-1-3-13(14)16(20(15)21)12-7-5-11(10-18)6-8-12/h1-8H,9H2