7-fluoranyl-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one; propanoate

Systemtic Name: 7-fluoranyl-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one; propanoate Openeye Name: 3-allyl-7-fluoro-6-nitro-3H-quinoxalin-2-one; propanoate CAS Name: 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one; propanoate IUPAC Name: 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one; propanoate Traditional Name: 3-allyl-7-fluoro-6-nitro-3H-quinoxalin-2-one; propionate Formula: C14H13FN3O5- MolecularWeight: 322.268523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].C=CCC1C(=O)N=C2C=C(C(=CC2=N1)[N+](=O)[O-])F

Isomeric SMILES

CCC(=O)[O-].C=CCC1C(=O)N=C2C=C(C(=CC2=N1)[N+](=O)[O-])F

InChI

InChI=1S/C11H8FN3O3.C3H6O2/c1-2-3-7-11(16)14-8-4-6(12)10(15(17)18)5-9(8)13-7;1-2-3(4)5/h2,4-5,7H,1,3H2;2H2,1H3,(H,4,5)/p-1