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

Systemtic Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [5-(m-tolyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C20H20N4O6/c1-13-4-3-5-14(10-13)19-23-22-18(30-19)12-29-20(25)16-11-15(24(26)27)6-7-17(16)21-8-9-28-2/h3-7,10-11,21H,8-9,12H2,1-2H3