5-[(4-tert-butylphenoxy)methyl]-3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[(4-tert-butylphenoxy)methyl]-3-(4-chloranyl-3-nitro-phenyl)-1H-1,2,4-triazole Openeye Name: 5-[(4-tert-butylphenoxy)methyl]-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole CAS Name: 5-[(4-tert-butylphenoxy)methyl]-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-3-(4-chloro-3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-[(4-tert-butylphenoxy)methyl]-3-(4-chloro-3-nitro-phenyl)-1H-1,2,4-triazole Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3/c1-19(2,3)13-5-7-14(8-6-13)27-11-17-21-18(23-22-17)12-4-9-15(20)16(10-12)24(25)26/h4-10H,11H2,1-3H3,(H,21,22,23)