1-(3-nitrophenyl)ethyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 3-acetamidoadamantane-1-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C21H26N2O5/c1-13(17-4-3-5-18(7-17)23(26)27)28-19(25)20-8-15-6-16(9-20)11-21(10-15,12-20)22-14(2)24/h3-5,7,13,15-16H,6,8-12H2,1-2H3,(H,22,24)