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

Systemtic Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6/c1-19-14-7-6-12(9-15(14)22(24)25)18(23)27-10-16-20-17(21-28-16)11-4-3-5-13(8-11)26-2/h3-9,19H,10H2,1-2H3