(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-ethyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-ethyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-ethyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(O1)COC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-3-13-17-18-14(25-13)9-24-15(20)10-4-5-11(16-6-7-23-2)12(8-10)19(21)22/h4-5,8,16H,3,6-7,9H2,1-2H3