(4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C15H10Cl3N4O3+ MolecularWeight: 400.6239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=[NH+]C(=C(C(=C3Cl)N)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)COC(=O)C3=[NH+]C(=C(C(=C3Cl)N)Cl)Cl

InChI

InChI=1S/C15H9Cl3N4O3/c16-9-11(19)10(17)13(18)22-12(9)15(24)25-5-8-20-7-4-2-1-3-6(7)14(23)21-8/h1-4H,5H2,(H2,19,22)(H,20,21,23)/p+1