N1,N3-bis[5-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis[5-benzamido-9,10-bis(oxidanylidene)anthracen-1-yl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(5-benzamido-9,10-dioxo-1-anthryl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(5-benzamido-9,10-dioxo-1-anthracenyl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(5-benzamido-9,10-dioxoanthracen-1-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(5-benzamido-9,10-diketo-1-anthryl)isophthalamide Formula: C50H30N4O8 MolecularWeight: 814.7952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC(=CC=C5)C(=O)NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(=CC=C8)NC(=O)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC(=O)C5=CC(=CC=C5)C(=O)NC6=CC=CC7=C6C(=O)C8=C(C7=O)C(=CC=C8)NC(=O)C9=CC=CC=C9

InChI

InChI=1S/C50H30N4O8/c55-43-33-20-10-24-37(41(33)45(57)31-18-8-22-35(39(31)43)51-47(59)27-12-3-1-4-13-27)53-49(61)29-16-7-17-30(26-29)50(62)54-38-25-11-21-34-42(38)46(58)32-19-9-23-36(40(32)44(34)56)52-48(60)28-14-5-2-6-15-28/h1-26H,(H,51,59)(H,52,60)(H,53,61)(H,54,62)