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

Systemtic Name: phenacyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: phenacyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid phenacyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-3-20(4-2)17-11-10-15(21(24)25)12-16(17)19(23)26-13-18(22)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3