[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C20H20N4O7/c1-2-29-17-6-4-3-5-14(17)19-22-18(31-23-19)12-30-20(26)15-11-13(24(27)28)7-8-16(15)21-9-10-25/h3-8,11,21,25H,2,9-10,12H2,1H3