4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]benzoic acid Formula: C18H10ClN3O3 MolecularWeight: 351.7433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H10ClN3O3/c19-13-5-6-14-15(8-13)21-16(22-17(14)23)12(9-20)7-10-1-3-11(4-2-10)18(24)25/h1-8H,(H,24,25)(H,21,22,23)/b12-7+