[1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-azanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-amino-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-2-anthracenecarboxylic acid [1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-amino-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-anthracene-2-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)OC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C22H21N3O6/c1-10(2)24-22(30)25-20(28)11(3)31-21(29)15-9-8-14-16(17(15)23)19(27)13-7-5-4-6-12(13)18(14)26/h4-11H,23H2,1-3H3,(H2,24,25,28,30)