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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H25NO5/c29-22(28-27-11-15-8-16(12-27)10-17(9-15)13-27)14-33-26(32)21-7-3-6-20-23(21)25(31)19-5-2-1-4-18(19)24(20)30/h1-7,15-17H,8-14H2,(H,28,29)