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

Systemtic Name: 2-phenoxyethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 2-phenoxyethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 2-phenoxyethyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6/c20-9-8-18-16-7-6-13(19(22)23)12-15(16)17(21)25-11-10-24-14-4-2-1-3-5-14/h1-7,12,18,20H,8-11H2