1-adamantyl 4-[[2-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate

Systemtic Name: 1-adamantyl 4-[[2-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]methylamino]benzoate Openeye Name: 1-adamantyl 4-[(2-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylamino]benzoate CAS Name: 4-[(2-bromo-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylamino]benzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-[(2-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate Traditional Name: 4-[(2-bromo-3,6-diketo-cyclohexa-1,4-dien-1-yl)methylamino]benzoic acid 1-adamantyl ester Formula: C24H24BrNO4 MolecularWeight: 470.35566

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C(=O)C=CC5=O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C(=O)C=CC5=O)Br

InChI

InChI=1S/C24H24BrNO4/c25-22-19(20(27)5-6-21(22)28)13-26-18-3-1-17(2-4-18)23(29)30-24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,14-16,26H,7-13H2