N-[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]-4-phenoxy-benzamide

Systemtic Name: N-[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]-4-phenoxy-benzamide Openeye Name: N-(4-amino-3-bromo-9,10-dioxo-1-anthryl)-4-phenoxy-benzamide CAS Name: N-(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)-4-phenoxybenzamide IUPAC Name: N-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)-4-phenoxybenzamide Traditional Name: N-(4-amino-3-bromo-9,10-diketo-1-anthryl)-4-phenoxy-benzamide Formula: C27H17BrN2O4 MolecularWeight: 513.33888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)Br

InChI

InChI=1S/C27H17BrN2O4/c28-20-14-21(22-23(24(20)29)26(32)19-9-5-4-8-18(19)25(22)31)30-27(33)15-10-12-17(13-11-15)34-16-6-2-1-3-7-16/h1-14H,29H2,(H,30,33)