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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-5-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole Openeye Name: 3-(4-chloro-3-nitro-phenyl)-5-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole CAS Name: 3-(4-chloro-3-nitrophenyl)-5-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(4-chloro-3-nitrophenyl)-5-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole Traditional Name: 3-(4-chloro-3-nitro-phenyl)-5-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NC(=NN2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C17H15ClN4O3/c1-10-3-5-13(7-11(10)2)25-9-16-19-17(21-20-16)12-4-6-14(18)15(8-12)22(23)24/h3-8H,9H2,1-2H3,(H,19,20,21)