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(3-nitrophenyl)methyl adamantane-1-carboxylate

(3-nitrophenyl)methyl adamantane-1-carboxylate

Systemtic Name:(3-nitrophenyl)methyl adamantane-1-carboxylate
Openeye Name:(3-nitrophenyl)methyl adamantane-1-carboxylate
CAS Name:1-adamantanecarboxylic acid (3-nitrophenyl)methyl ester
IUPAC Name:(3-nitrophenyl)methyl adamantane-1-carboxylate
Traditional Name:adamantane-1-carboxylic acid (3-nitrobenzyl) ester
Formula: C18H21NO4
MolecularWeight: 315.36364
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C18H21NO4/c20-17(23-11-12-2-1-3-16(7-12)19(21)22)18-8-13-4-14(9-18)6-15(5-13)10-18/h1-3,7,13-15H,4-6,8-11H2


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