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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

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