2-[7-azanyl-1,3-bis(oxidanylidene)-2,4-dihydroquinoxalin-1-ium-2-yl]-2-(4-chlorophenyl)ethanenitrile

Systemtic Name: 2-[7-azanyl-1,3-bis(oxidanylidene)-2,4-dihydroquinoxalin-1-ium-2-yl]-2-(4-chlorophenyl)ethanenitrile Openeye Name: 2-(7-amino-1,3-dioxo-2,4-dihydroquinoxalin-1-ium-2-yl)-2-(4-chlorophenyl)acetonitrile CAS Name: 2-(7-amino-1,3-dioxo-2,4-dihydroquinoxalin-1-ium-2-yl)-2-(4-chlorophenyl)acetonitrile IUPAC Name: 2-(7-amino-1,3-dioxo-2,4-dihydroquinoxalin-1-ium-2-yl)-2-(4-chlorophenyl)acetonitrile Traditional Name: 2-(7-amino-1,3-diketo-2,4-dihydroquinoxalin-1-ium-2-yl)-2-(4-chlorophenyl)acetonitrile Formula: C16H12ClN4O2+ MolecularWeight: 327.74508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C#N)C2C(=O)NC3=C([N+]2=O)C=C(C=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C#N)C2C(=O)NC3=C([N+]2=O)C=C(C=C3)N)Cl

InChI

InChI=1S/C16H11ClN4O2/c17-10-3-1-9(2-4-10)12(8-18)15-16(22)20-13-6-5-11(19)7-14(13)21(15)23/h1-7,12,15H,19H2/p+1