3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-6-nitro-quinazolin-4-one CAS Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-nitro-4-quinazolinone IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-6-nitroquinazolin-4-one Traditional Name: 3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-6-nitro-quinazolin-4-one Formula: C17H11N3O6 MolecularWeight: 353.28574

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O6/c21-14(10-1-4-15-16(5-10)26-9-25-15)7-19-8-18-13-3-2-11(20(23)24)6-12(13)17(19)22/h1-6,8H,7,9H2