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

Systemtic Name: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [5-(5-methyl-3-phenyl-4-isoxazolyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [5-(5-methyl-3-phenyl-isoxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H13ClN4O6 MolecularWeight: 440.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=NN=C(O3)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O6/c1-11-17(18(24-31-11)12-5-3-2-4-6-12)19-23-22-16(30-19)10-29-20(26)14-9-13(25(27)28)7-8-15(14)21/h2-9H,10H2,1H3