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

Systemtic Name: phenacyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: phenacyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid phenacyl ester IUPAC Name: phenacyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid phenacyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H16N2O6/c20-9-8-18-15-7-6-13(19(23)24)10-14(15)17(22)25-11-16(21)12-4-2-1-3-5-12/h1-7,10,18,20H,8-9,11H2