2-fluoranyl-7-nitro-7-[3-(prop-2-ynylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-dione

Systemtic Name: 2-fluoranyl-7-nitro-7-[3-(prop-2-ynylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-dione Openeye Name: 2-fluoro-7-nitro-7-[3-(prop-2-ynylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-dione CAS Name: 2-fluoro-7-nitro-7-[3-(prop-2-ynylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-dione IUPAC Name: 2-fluoro-7-nitro-7-[3-(prop-2-ynylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-dione Traditional Name: 2-fluoro-7-nitro-7-[3-(propargylamino)phenyl]-5,6-dihydro-4H-isoindole-1,3-quinone Formula: C17H14FN3O4 MolecularWeight: 343.309163

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=CC=CC(=C1)C2(CCCC3=C2C(=O)N(C3=O)F)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=CC=CC(=C1)C2(CCCC3=C2C(=O)N(C3=O)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN3O4/c1-2-9-19-12-6-3-5-11(10-12)17(21(24)25)8-4-7-13-14(17)16(23)20(18)15(13)22/h1,3,5-6,10,19H,4,7-9H2