3-[4-butyl-6-oxidanyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[4-butyl-6-oxidanyl-2,7-bis(oxidanylidene)-3H-quinazolin-1-yl]propanoic acid Openeye Name: 3-(4-butyl-6-hydroxy-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid CAS Name: 3-(4-butyl-6-hydroxy-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid IUPAC Name: 3-(4-butyl-6-hydroxy-2,7-dioxo-3H-quinazolin-1-yl)propanoic acid Traditional Name: 3-(4-butyl-6-hydroxy-2,7-diketo-3H-quinazolin-1-yl)propionic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=C(C(=O)C=C2N(C(=O)N1)CCC(=O)O)O

Isomeric SMILES

CCCCC1=C2C=C(C(=O)C=C2N(C(=O)N1)CCC(=O)O)O

InChI

InChI=1S/C15H18N2O5/c1-2-3-4-10-9-7-12(18)13(19)8-11(9)17(15(22)16-10)6-5-14(20)21/h7-8,18H,2-6H2,1H3,(H,16,22)(H,20,21)