3-[4-[7-chloranyl-2,4-bis(oxidanylidene)quinazolin-1-yl]sulfonylphenoxy]propanoic acid

Systemtic Name: 3-[4-[7-chloranyl-2,4-bis(oxidanylidene)quinazolin-1-yl]sulfonylphenoxy]propanoic acid Openeye Name: 3-[4-(7-chloro-2,4-dioxo-quinazolin-1-yl)sulfonylphenoxy]propanoic acid CAS Name: 3-[4-[(7-chloro-2,4-dioxo-1-quinazolinyl)sulfonyl]phenoxy]propanoic acid IUPAC Name: 3-[4-(7-chloro-2,4-dioxoquinazolin-1-yl)sulfonylphenoxy]propanoic acid Traditional Name: 3-[4-(7-chloro-2,4-diketo-quinazolin-1-yl)sulfonylphenoxy]propionic acid Formula: C17H13ClN2O7S MolecularWeight: 424.81232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCC(=O)O)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)C(=O)NC2=O

Isomeric SMILES

C1=CC(=CC=C1OCCC(=O)O)S(=O)(=O)N2C3=C(C=CC(=C3)Cl)C(=O)NC2=O

InChI

InChI=1S/C17H13ClN2O7S/c18-10-1-6-13-14(9-10)20(17(24)19-16(13)23)28(25,26)12-4-2-11(3-5-12)27-8-7-15(21)22/h1-6,9H,7-8H2,(H,21,22)(H,19,23,24)