ethyl 3-[2-azanyl-6,7-bis(chloranyl)quinoxalin-1-ium-1-yl]-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-azanyl-6,7-bis(chloranyl)quinoxalin-1-ium-1-yl]-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-amino-6,7-dichloro-quinoxalin-1-ium-1-yl)-2-oxo-propanoate CAS Name: 3-(2-amino-6,7-dichloro-1-quinoxalin-1-iumyl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-6,7-dichloroquinoxalin-1-ium-1-yl)-2-oxopropanoate Traditional Name: 3-(2-amino-6,7-dichloro-quinoxalin-1-ium-1-yl)-2-keto-propionic acid ethyl ester Formula: C13H12Cl2N3O3+ MolecularWeight: 329.15868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C[N+]1=C(C=NC2=CC(=C(C=C21)Cl)Cl)N

Isomeric SMILES

CCOC(=O)C(=O)C[N+]1=C(C=NC2=CC(=C(C=C21)Cl)Cl)N

InChI

InChI=1S/C13H11Cl2N3O3/c1-2-21-13(20)11(19)6-18-10-4-8(15)7(14)3-9(10)17-5-12(18)16/h3-5,16H,2,6H2,1H3/p+1