(2-nitrophenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: (2-nitrophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H22BrNO4/c20-19-8-13-5-14(9-19)7-18(6-13,12-19)10-17(22)25-11-15-3-1-2-4-16(15)21(23)24/h1-4,13-14H,5-12H2/t13-,14+,18?,19?