(4-nitrophenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid (4-nitrobenzyl) ester Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H22BrNO4/c20-19-8-14-5-15(9-19)7-18(6-14,12-19)10-17(22)25-11-13-1-3-16(4-2-13)21(23)24/h1-4,14-15H,5-12H2