[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20BrClN2O5 MolecularWeight: 471.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrClN2O5/c20-19-7-11-3-12(8-19)6-18(5-11,10-19)17(25)28-9-16(24)22-14-4-13(21)1-2-15(14)23(26)27/h1-2,4,11-12H,3,5-10H2,(H,22,24)