(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H16N4O6/c23-9-8-19-15-7-6-13(22(25)26)10-14(15)18(24)27-11-16-20-17(21-28-16)12-4-2-1-3-5-12/h1-7,10,19,23H,8-9,11H2