3-(2-chloranyl-4-nitro-phenyl)-6-iodanyl-2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)-6-iodanyl-2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one Openeye Name: 3-(2-chloro-4-nitro-phenyl)-6-iodo-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one CAS Name: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-1H-quinazolin-4-one IUPAC Name: 3-(2-chloro-4-nitrophenyl)-6-iodo-2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one Traditional Name: 3-(2-chloro-4-nitro-phenyl)-6-iodo-2-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-quinazolin-4-one Formula: C22H13ClIN3O4 MolecularWeight: 545.71379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)I)C(=O)N2C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=O)C=CC1=CC=C2NC3=C(C=C(C=C3)I)C(=O)N2C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H13ClIN3O4/c23-18-12-15(27(30)31)5-9-20(18)26-21(10-3-13-1-6-16(28)7-2-13)25-19-8-4-14(24)11-17(19)22(26)29/h1-12,25H