5-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-(7-chloro-4-oxo-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-(7-chloro-4-oxo-3-quinazolinyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(7-chloro-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-(7-chloro-4-keto-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C18H11ClN4O3 MolecularWeight: 366.75794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C18H11ClN4O3/c19-11-6-7-13-15(8-11)20-10-22(17(13)24)16-14(18(25)26)9-21-23(16)12-4-2-1-3-5-12/h1-10H,(H,25,26)