[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO5/c1-3-7-13(2)23-18(24)12-28-22(27)17-11-6-10-16-19(17)21(26)15-9-5-4-8-14(15)20(16)25/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,23,24)