[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-13(2)10-11-23-18(24)12-28-22(27)17-9-5-8-16-19(17)21(26)15-7-4-3-6-14(15)20(16)25/h3-9,13H,10-12H2,1-2H3,(H,23,24)