phenyl 3-nitroadamantane-1-carboxylate

Systemtic Name: phenyl 3-nitroadamantane-1-carboxylate Openeye Name: phenyl 3-nitroadamantane-1-carboxylate CAS Name: 3-nitro-1-adamantanecarboxylic acid phenyl ester IUPAC Name: phenyl 3-nitroadamantane-1-carboxylate Traditional Name: 3-nitroadamantane-1-carboxylic acid phenyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C17H19NO4/c19-15(22-14-4-2-1-3-5-14)16-7-12-6-13(8-16)10-17(9-12,11-16)18(20)21/h1-5,12-13H,6-11H2