[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19Br3N2O5 MolecularWeight: 595.07656

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C19H19Br3N2O5/c20-13-2-12(24(27)28)3-14(21)16(13)23-15(25)8-29-17(26)18-4-10-1-11(5-18)7-19(22,6-10)9-18/h2-3,10-11H,1,4-9H2,(H,23,25)