(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CN3C=NC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c23-17(7-21-10-20-16-4-2-1-3-15(16)19(21)24)28-9-13-6-14(22(25)26)5-12-8-27-11-29-18(12)13/h1-6,10H,7-9,11H2