2-adamantyl 4-nitrobenzoate

Systemtic Name: 2-adamantyl 4-nitrobenzoate Openeye Name: 2-adamantyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-adamantyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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