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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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