methyl 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1-adamantyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-adamantyl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO6/c1-26-19(23)15-2-3-17(16(7-15)21(24)25)27-11-18(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,7,12-14H,4-6,8-11H2,1H3