6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one CAS Name: 6-iodo-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one Formula: C21H14IN3O4 MolecularWeight: 499.25803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H14IN3O4/c22-15-6-9-18-17(12-15)21(26)24(13-14-4-2-1-3-5-14)19(23-18)10-7-16-8-11-20(29-16)25(27)28/h1-12H,13H2/b10-7+