3-[4-[2-(7-bromanyl-3,5-dinitro-9-oxidanylidene-fluoren-2-yl)ethynyl]phenyl]sulfanylpropanenitrile

Systemtic Name: 3-[4-[2-(7-bromanyl-3,5-dinitro-9-oxidanylidene-fluoren-2-yl)ethynyl]phenyl]sulfanylpropanenitrile Openeye Name: 3-[4-[2-(7-bromo-3,5-dinitro-9-oxo-fluoren-2-yl)ethynyl]phenyl]sulfanylpropanenitrile CAS Name: 3-[[4-[2-(7-bromo-3,5-dinitro-9-oxo-2-fluorenyl)ethynyl]phenyl]thio]propanenitrile IUPAC Name: 3-[4-[2-(7-bromo-3,5-dinitro-9-oxofluoren-2-yl)ethynyl]phenyl]sulfanylpropanenitrile Traditional Name: 3-[[4-[2-(7-bromo-9-keto-3,5-dinitro-fluoren-2-yl)ethynyl]phenyl]thio]propionitrile Formula: C24H12BrN3O5S MolecularWeight: 534.33818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC2=CC3=C(C=C2[N+](=O)[O-])C4=C(C=C(C=C4C3=O)Br)[N+](=O)[O-])SCCC#N

Isomeric SMILES

C1=CC(=CC=C1C#CC2=CC3=C(C=C2[N+](=O)[O-])C4=C(C=C(C=C4C3=O)Br)[N+](=O)[O-])SCCC#N

InChI

InChI=1S/C24H12BrN3O5S/c25-16-11-20-23(22(12-16)28(32)33)18-13-21(27(30)31)15(10-19(18)24(20)29)5-2-14-3-6-17(7-4-14)34-9-1-8-26/h3-4,6-7,10-13H,1,9H2