4,5,8-tris(methylcarbamoyloxy)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 4,5,8-tris(methylcarbamoyloxy)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 4,5,8-tris(methylcarbamoyloxy)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 4,5,8-tris(methylcarbamoyloxy)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 4,5,8-tris(methylcarbamoyloxy)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 9,10-diketo-4,5,8-tris(methylcarbamoyloxy)anthracene-2-carboxylic acid Formula: C21H17N3O10 MolecularWeight: 471.37378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C2C(=C(C=C1)OC(=O)NC)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)OC(=O)NC

Isomeric SMILES

CNC(=O)OC1=C2C(=C(C=C1)OC(=O)NC)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)OC(=O)NC

InChI

InChI=1S/C21H17N3O10/c1-22-19(29)32-10-4-5-11(33-20(30)23-2)15-14(10)16(25)9-6-8(18(27)28)7-12(13(9)17(15)26)34-21(31)24-3/h4-7H,1-3H3,(H,22,29)(H,23,30)(H,24,31)(H,27,28)