(3-phenyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate

Systemtic Name: (3-phenyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate Openeye Name: (3-phenylnorbornan-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-phenyl-2-bicyclo[2.2.1]heptanyl)methyl ester IUPAC Name: (3-phenyl-2-bicyclo[2.2.1]heptanyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-phenylnorbornan-2-yl)methyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2CC1C(C2C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO4/c23-21(15-8-10-18(11-9-15)22(24)25)26-13-19-16-6-7-17(12-16)20(19)14-4-2-1-3-5-14/h1-5,8-11,16-17,19-20H,6-7,12-13H2