4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid

Systemtic Name: 4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid Openeye Name: 4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid CAS Name: 4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid IUPAC Name: 4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid Traditional Name: 4-(2-tert-butylphenyl)-3-nitro-2-(1,3,4-oxadiazol-2-yl)benzoic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)O)C3=NN=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C2=C(C(=C(C=C2)C(=O)O)C3=NN=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5/c1-19(2,3)14-7-5-4-6-11(14)12-8-9-13(18(23)24)15(16(12)22(25)26)17-21-20-10-27-17/h4-10H,1-3H3,(H,23,24)