3-[2-(4-methyl-2-oxidanyl-phenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid

Systemtic Name: 3-[2-(4-methyl-2-oxidanyl-phenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid Openeye Name: 3-[2-(2-hydroxy-4-methyl-phenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid CAS Name: 3-[2-(2-hydroxy-4-methylphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid IUPAC Name: 3-[2-(2-hydroxy-4-methylphenoxy)-5-nitrophenyl]-1,2,4-oxadiazole-5-carboxylic acid Traditional Name: 3-[2-(2-hydroxy-4-methyl-phenoxy)-5-nitro-phenyl]-1,2,4-oxadiazole-5-carboxylic acid Formula: C16H11N3O7 MolecularWeight: 357.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NOC(=N3)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=NOC(=N3)C(=O)O)O

InChI

InChI=1S/C16H11N3O7/c1-8-2-4-13(11(20)6-8)25-12-5-3-9(19(23)24)7-10(12)14-17-15(16(21)22)26-18-14/h2-7,20H,1H3,(H,21,22)