3-[(4-chloranylphenoxy)methyl]-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butanal

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)butanal Openeye Name: 3-[(4-chlorophenoxy)methyl]-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanal CAS Name: 3-[(4-chlorophenoxy)methyl]-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanal IUPAC Name: 3-[(4-chlorophenoxy)methyl]-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butanal Traditional Name: 3-[(4-chlorophenoxy)methyl]-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)butyraldehyde Formula: C15H18ClN3O3 MolecularWeight: 323.77472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)C(CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C=O)C(CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H18ClN3O3/c1-14(2,8-20)15(21,7-19-11-17-10-18-19)9-22-13-5-3-12(16)4-6-13/h3-6,8,10-11,21H,7,9H2,1-2H3