1-adamantyl 4-nitrobenzoate

Systemtic Name: 1-adamantyl 4-nitrobenzoate Openeye Name: 1-adamantyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-adamantyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c19-16(14-1-3-15(4-2-14)18(20)21)22-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2