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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C15H9ClN2O5S MolecularWeight: 364.76036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9ClN2O5S/c16-11-4-3-9(6-12(11)18(20)21)15(19)22-8-10-7-13(23-17-10)14-2-1-5-24-14/h1-7H,8H2