(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H15ClN2O6 MolecularWeight: 414.7959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN2O6/c1-11-16(12(2)29-22-11)10-28-20(25)15-6-4-3-5-14(15)19(24)13-7-8-17(21)18(9-13)23(26)27/h3-9H,10H2,1-2H3