[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C28H23NO6 MolecularWeight: 469.48532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H23NO6/c1-16(2)14-24(31)29-18-12-10-17(11-13-18)23(30)15-35-28(34)22-9-5-8-21-25(22)27(33)20-7-4-3-6-19(20)26(21)32/h3-13,16H,14-15H2,1-2H3,(H,29,31)