2-(2-methyl-5-nitro-imidazol-1-yl)ethyl adamantane-1-carboxylate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl adamantane-1-carboxylate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4/c1-11-18-10-15(20(22)23)19(11)2-3-24-16(21)17-7-12-4-13(8-17)6-14(5-12)9-17/h10,12-14H,2-9H2,1H3