[4-(1-adamantyl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(1-adamantyl)phenyl] 3-nitrobenzoate Openeye Name: [4-(1-adamantyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(1-adamantyl)phenyl] ester IUPAC Name: [4-(1-adamantyl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(1-adamantyl)phenyl] ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23NO4/c25-22(18-2-1-3-20(11-18)24(26)27)28-21-6-4-19(5-7-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h1-7,11,15-17H,8-10,12-14H2