5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanenitrile

Systemtic Name: 5-[9,10-bis(oxidanylidene)anthracen-2-yl]-5-methyl-hexanenitrile Openeye Name: 5-(9,10-dioxo-2-anthryl)-5-methyl-hexanenitrile CAS Name: 5-(9,10-dioxo-2-anthracenyl)-5-methylhexanenitrile IUPAC Name: 5-(9,10-dioxoanthracen-2-yl)-5-methylhexanenitrile Traditional Name: 5-(9,10-diketo-2-anthryl)-5-methyl-hexanenitrile Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#N)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(CCCC#N)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO2/c1-21(2,11-5-6-12-22)14-9-10-17-18(13-14)20(24)16-8-4-3-7-15(16)19(17)23/h3-4,7-10,13H,5-6,11H2,1-2H3