[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H27NO7/c1-3-29-19-7-16(17(23(26)27)8-18(19)28-2)21(25)30-12-20(24)22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,3-6,9-12H2,1-2H3