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

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-12-2-4-13(5-3-12)19-22-18(23-29-19)11-28-20(25)14-6-9-16(21-15-7-8-15)17(10-14)24(26)27/h2-6,9-10,15,21H,7-8,11H2,1H3