4-[[7-chloranyl-3-oxidanyl-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[7-chloranyl-3-oxidanyl-2,4-bis(oxidanylidene)-1H-quinazolin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(7-chloro-3-hydroxy-2,4-dioxo-1H-quinazolin-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(7-chloro-3-hydroxy-2,4-diketo-1H-quinazolin-6-yl)amino]-4-keto-butyric acid Formula: C12H10ClN3O6 MolecularWeight: 327.6773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1NC(=O)CCC(=O)O)Cl)NC(=O)N(C2=O)O

Isomeric SMILES

C1=C2C(=CC(=C1NC(=O)CCC(=O)O)Cl)NC(=O)N(C2=O)O

InChI

InChI=1S/C12H10ClN3O6/c13-6-4-7-5(11(20)16(22)12(21)15-7)3-8(6)14-9(17)1-2-10(18)19/h3-4,22H,1-2H2,(H,14,17)(H,15,21)(H,18,19)