1-adamantyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: 1-adamantyl 4-bromanyl-3-nitro-benzoate Openeye Name: 1-adamantyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 1-adamantyl ester Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4/c18-14-2-1-13(6-15(14)19(21)22)16(20)23-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2