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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O5/c1-7-11(8(2)21-15-7)6-20-13(17)10-4-3-9(16(18)19)5-12(10)14/h3-5H,6H2,1-2H3