4-[2-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C23H14ClN3O5 MolecularWeight: 447.82736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H14ClN3O5/c24-19-11-10-17(27(31)32)13-15(19)7-12-21-25-20-4-2-1-3-18(20)22(28)26(21)16-8-5-14(6-9-16)23(29)30/h1-13H,(H,29,30)/b12-7+