(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O5/c1-18-13-8-7-12(9-14(13)21(23)24)17(22)25-10-15-19-16(20-26-15)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3