(4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O5/c20-19-7-11-3-12(8-19)6-18(5-11,10-19)17(24)27-9-14-2-1-13(16(21)23)4-15(14)22(25)26/h1-2,4,11-12H,3,5-10H2,(H2,21,23)