[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: [5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: [5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-(2-chloro-4-nitro-phenyl)methanone CAS Name: [5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-(2-chloro-4-nitrophenyl)methanone IUPAC Name: [5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-(2-chloro-4-nitrophenyl)methanone Traditional Name: [5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]-(2-chloro-4-nitro-phenyl)methanone Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H23ClN4O4/c1-13(2)31-21-24-19(14-6-8-15(9-7-14)22(3,4)5)26(25-21)20(28)17-11-10-16(27(29)30)12-18(17)23/h6-13H,1-5H3