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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)[N+](=O)[O-]

InChI

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