5-[2,4-bis(chloranyl)-3-ethyl-phenyl]-3-ethoxy-1,2-oxazole; tert-butyl carbamate

Systemtic Name: 5-[2,4-bis(chloranyl)-3-ethyl-phenyl]-3-ethoxy-1,2-oxazole; tert-butyl carbamate Openeye Name: tert-butyl carbamate; 5-(2,4-dichloro-3-ethyl-phenyl)-3-ethoxy-isoxazole CAS Name: carbamic acid tert-butyl ester; 5-(2,4-dichloro-3-ethylphenyl)-3-ethoxyisoxazole IUPAC Name: tert-butyl carbamate; 5-(2,4-dichloro-3-ethylphenyl)-3-ethoxy-1,2-oxazole Traditional Name: carbamic acid tert-butyl ester; 5-(2,4-dichloro-3-ethyl-phenyl)-3-ethoxy-isoxazole Formula: C18H24Cl2N2O4 MolecularWeight: 403.30016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1Cl)C2=CC(=NO2)OCC)Cl.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC1=C(C=CC(=C1Cl)C2=CC(=NO2)OCC)Cl.CC(C)(C)OC(=O)N

InChI

InChI=1S/C13H13Cl2NO2.C5H11NO2/c1-3-8-10(14)6-5-9(13(8)15)11-7-12(16-18-11)17-4-2;1-5(2,3)8-4(6)7/h5-7H,3-4H2,1-2H3;1-3H3,(H2,6,7)