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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-12(25)23-21-8-13-4-14(9-21)7-20(6-13,11-21)19(27)30-10-16-3-2-15(18(22)26)5-17(16)24(28)29/h2-3,5,13-14H,4,6-11H2,1H3,(H2,22,26)(H,23,25)