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

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C19H17N5O8 MolecularWeight: 443.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O8/c1-11(17-21-22-18(32-17)12-2-4-13(5-3-12)23(27)28)31-19(26)15-10-14(24(29)30)6-7-16(15)20-8-9-25/h2-7,10-11,20,25H,8-9H2,1H3