phenacyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: phenacyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: phenacyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid phenacyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-25-10-9-19-16-8-7-14(20(23)24)11-15(16)18(22)26-12-17(21)13-5-3-2-4-6-13/h2-8,11,19H,9-10,12H2,1H3