3-(2-hydroxyethyl)-6-iodanyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one

Systemtic Name: 3-(2-hydroxyethyl)-6-iodanyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one Openeye Name: 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)vinyl]quinazolin-4-one CAS Name: 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-quinazolinone IUPAC Name: 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one Traditional Name: 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-(3-nitrophenyl)vinyl]quinazolin-4-one Formula: C18H14IN3O4 MolecularWeight: 463.22593

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=NC3=C(C=C(C=C3)I)C(=O)N2CCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=NC3=C(C=C(C=C3)I)C(=O)N2CCO

InChI

InChI=1S/C18H14IN3O4/c19-13-5-6-16-15(11-13)18(24)21(8-9-23)17(20-16)7-4-12-2-1-3-14(10-12)22(25)26/h1-7,10-11,23H,8-9H2/b7-4+