(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H13ClN4O6S MolecularWeight: 484.86912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H13ClN4O6S/c22-15-10-12(26(29)30)7-8-13(15)20(27)23-16-5-2-1-4-14(16)21(28)31-11-18-24-19(25-32-18)17-6-3-9-33-17/h1-10H,11H2,(H,23,27)