[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20Br2N2O5 MolecularWeight: 516.1805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C19H20Br2N2O5/c20-14-4-13(23(26)27)1-2-15(14)22-16(24)9-28-17(25)18-5-11-3-12(6-18)8-19(21,7-11)10-18/h1-2,4,11-12H,3,5-10H2,(H,22,24)/t11-,12+,18?,19?