methyl 2-[3-(4-nitrophenyl)-1-adamantyl]ethanoate

Systemtic Name: methyl 2-[3-(4-nitrophenyl)-1-adamantyl]ethanoate Openeye Name: methyl 2-[3-(4-nitrophenyl)-1-adamantyl]acetate CAS Name: 2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-nitrophenyl)-1-adamantyl]acetate Traditional Name: 2-[3-(4-nitrophenyl)-1-adamantyl]acetic acid methyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H23NO4/c1-24-17(21)11-18-7-13-6-14(8-18)10-19(9-13,12-18)15-2-4-16(5-3-15)20(22)23/h2-5,13-14H,6-12H2,1H3