4-oxidanylidene-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid Openeye Name: 4-oxo-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid CAS Name: 4-oxo-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid IUPAC Name: 4-oxo-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid Traditional Name: 4-keto-2-(3-phenoxyphenyl)-1H-quinazoline-5-carboxylic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=O)C4=C(C=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=O)C4=C(C=CC=C4N3)C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-20-18-16(21(25)26)10-5-11-17(18)22-19(23-20)13-6-4-9-15(12-13)27-14-7-2-1-3-8-14/h1-12H,(H,25,26)(H,22,23,24)