4-butoxy-N-[2-(4-chloranyl-3-nitro-phenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide

Systemtic Name: 4-butoxy-N-[2-(4-chloranyl-3-nitro-phenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide Openeye Name: 4-butoxy-N-[2-(4-chloro-3-nitro-phenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide CAS Name: 4-butoxy-N-[2-(4-chloro-3-nitrophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide IUPAC Name: 4-butoxy-N-[2-(4-chloro-3-nitrophenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide Traditional Name: 4-butoxy-N-[2-(4-chloro-3-nitro-phenyl)-6-iodo-4-keto-1,2-dihydroquinazolin-3-yl]benzamide Formula: C25H22ClIN4O5 MolecularWeight: 620.82345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=C(C2=O)C=C(C=C3)I)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NN2C(NC3=C(C2=O)C=C(C=C3)I)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClIN4O5/c1-2-3-12-36-18-8-4-15(5-9-18)24(32)29-30-23(16-6-10-20(26)22(13-16)31(34)35)28-21-11-7-17(27)14-19(21)25(30)33/h4-11,13-14,23,28H,2-3,12H2,1H3,(H,29,32)