4-(3-oxidanidyl-2-phenyl-2H-quinazolin-3-ium-1-yl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanidyl-2-phenyl-2H-quinazolin-3-ium-1-yl)benzenecarbonitrile Openeye Name: 4-(3-oxido-2-phenyl-2H-quinazolin-3-ium-1-yl)benzonitrile CAS Name: 4-(3-oxido-2-phenyl-2H-quinazolin-3-ium-1-yl)benzonitrile IUPAC Name: 4-(3-oxido-2-phenyl-2H-quinazolin-3-ium-1-yl)benzonitrile Traditional Name: 4-(3-oxido-2-phenyl-2H-quinazolin-3-ium-1-yl)benzonitrile Formula: C21H15N3O MolecularWeight: 325.3633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2N(C3=CC=CC=C3C=[N+]2[O-])C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2N(C3=CC=CC=C3C=[N+]2[O-])C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H15N3O/c22-14-16-10-12-19(13-11-16)24-20-9-5-4-8-18(20)15-23(25)21(24)17-6-2-1-3-7-17/h1-13,15,21H