[2-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-quinazolin-3-yl] 4-ethylbenzoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-4-oxidanylidene-quinazolin-3-yl] 4-ethylbenzoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-4-oxo-quinazolin-3-yl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-(4-chloro-3-nitrophenyl)-4-oxo-3-quinazolinyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-4-oxoquinazolin-3-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-(4-chloro-3-nitro-phenyl)-4-keto-quinazolin-3-yl] ester Formula: C23H16ClN3O5 MolecularWeight: 449.84324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)ON2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H16ClN3O5/c1-2-14-7-9-15(10-8-14)23(29)32-26-21(16-11-12-18(24)20(13-16)27(30)31)25-19-6-4-3-5-17(19)22(26)28/h3-13H,2H2,1H3