[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)17(24)27-10-16(23)21-14-3-1-2-4-15(14)22(25)26/h1-4,12-13H,5-11H2,(H,21,23)/t12-,13+,18?,19?