ethyl 3-[3-nitro-4-(2-oxidanylphenoxy)phenyl]-1,2,4-oxadiazole-5-carboxylate

Systemtic Name: ethyl 3-[3-nitro-4-(2-oxidanylphenoxy)phenyl]-1,2,4-oxadiazole-5-carboxylate Openeye Name: ethyl 3-[4-(2-hydroxyphenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylate CAS Name: 3-[4-(2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-hydroxyphenoxy)-3-nitrophenyl]-1,2,4-oxadiazole-5-carboxylate Traditional Name: 3-[4-(2-hydroxyphenoxy)-3-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester Formula: C17H13N3O7 MolecularWeight: 371.30102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NO1)C2=CC(=C(C=C2)OC3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NC(=NO1)C2=CC(=C(C=C2)OC3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7/c1-2-25-17(22)16-18-15(19-27-16)10-7-8-13(11(9-10)20(23)24)26-14-6-4-3-5-12(14)21/h3-9,21H,2H2,1H3