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

Systemtic Name: 2-chloranyl-4-[[3,4-dibutoxy-1-fluoranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(3,4-dibutoxy-1-fluoro-9,10-dioxo-2-anthryl)amino]benzonitrile CAS Name: 2-chloro-4-[(3,4-dibutoxy-1-fluoro-9,10-dioxo-2-anthracenyl)amino]benzonitrile IUPAC Name: 2-chloro-4-[(3,4-dibutoxy-1-fluoro-9,10-dioxoanthracen-2-yl)amino]benzonitrile Traditional Name: 2-chloro-4-[(3,4-dibutoxy-1-fluoro-9,10-diketo-2-anthryl)amino]benzonitrile Formula: C29H26ClFN2O4 MolecularWeight: 520.979143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)F)NC4=CC(=C(C=C4)C#N)Cl)OCCCC

Isomeric SMILES

CCCCOC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)F)NC4=CC(=C(C=C4)C#N)Cl)OCCCC

InChI

InChI=1S/C29H26ClFN2O4/c1-3-5-13-36-28-23-22(26(34)19-9-7-8-10-20(19)27(23)35)24(31)25(29(28)37-14-6-4-2)33-18-12-11-17(16-32)21(30)15-18/h7-12,15,33H,3-6,13-14H2,1-2H3