[2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[(3-chloro-9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(3-chloro-9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[(3-chloro-9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C27H24ClNO5 MolecularWeight: 477.93616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C5C(=C4)C(=O)C6=CC=CC=C6C5=O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NC4=C(C=C5C(=C4)C(=O)C6=CC=CC=C6C5=O)Cl

InChI

InChI=1S/C27H24ClNO5/c28-21-8-19-20(25(32)18-4-2-1-3-17(18)24(19)31)9-22(21)29-23(30)13-34-26(33)27-10-14-5-15(11-27)7-16(6-14)12-27/h1-4,8-9,14-16H,5-7,10-13H2,(H,29,30)