(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C22H16N4O6S MolecularWeight: 464.45064

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6S/c1-23-16-9-8-13(11-17(16)26(29)30)20(27)14-5-2-3-6-15(14)22(28)31-12-19-24-25-21(32-19)18-7-4-10-33-18/h2-11,23H,12H2,1H3