(2-methoxy-5-nitro-phenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H22BrNO5 MolecularWeight: 424.28568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H22BrNO5/c1-25-16-3-2-15(21(23)24)5-14(16)10-26-17(22)18-6-12-4-13(7-18)9-19(20,8-12)11-18/h2-3,5,12-13H,4,6-11H2,1H3/t12-,13+,18?,19?