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

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20Cl2N2O5 MolecularWeight: 427.2785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N2O5/c20-14-2-1-13(23(26)27)4-15(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)