2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C=CC3=CC=C(O3)[N+](=O)[O-])CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])CCCO

InChI

InChI=1S/C17H15N3O5/c21-11-3-10-19-15(8-6-12-7-9-16(25-12)20(23)24)18-14-5-2-1-4-13(14)17(19)22/h1-2,4-9,21H,3,10-11H2/b8-6+