4-[[1,4-bis(fluoranyl)-3-octoxy-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[[1,4-bis(fluoranyl)-3-octoxy-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[(1,4-difluoro-3-octoxy-9,10-dioxo-2-anthryl)amino]benzonitrile CAS Name: 2-chloro-4-[(1,4-difluoro-3-octoxy-9,10-dioxo-2-anthracenyl)amino]benzonitrile IUPAC Name: 2-chloro-4-[(1,4-difluoro-3-octoxy-9,10-dioxoanthracen-2-yl)amino]benzonitrile Traditional Name: 2-chloro-4-[(1,4-difluoro-9,10-diketo-3-octoxy-2-anthryl)amino]benzonitrile Formula: C29H25ClF2N2O3 MolecularWeight: 522.970206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C(=C1NC3=CC(=C(C=C3)C#N)Cl)F)C(=O)C4=CC=CC=C4C2=O)F

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C(=C1NC3=CC(=C(C=C3)C#N)Cl)F)C(=O)C4=CC=CC=C4C2=O)F

InChI

InChI=1S/C29H25ClF2N2O3/c1-2-3-4-5-6-9-14-37-29-25(32)23-22(27(35)19-10-7-8-11-20(19)28(23)36)24(31)26(29)34-18-13-12-17(16-33)21(30)15-18/h7-8,10-13,15,34H,2-6,9,14H2,1H3