4-(tert-butylamino)-3-ethanoyl-2-oxidanyl-benzaldehyde hydrochloride

Systemtic Name: 4-(tert-butylamino)-3-ethanoyl-2-oxidanyl-benzaldehyde hydrochloride Openeye Name: 3-acetyl-4-(tert-butylamino)-2-hydroxy-benzaldehyde hydrochloride CAS Name: 3-acetyl-4-(tert-butylamino)-2-hydroxybenzaldehyde hydrochloride IUPAC Name: 3-acetyl-4-(tert-butylamino)-2-hydroxybenzaldehyde hydrochloride Traditional Name: 3-acetyl-4-(tert-butylamino)-2-hydroxy-benzaldehyde hydrochloride Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1O)C=O)NC(C)(C)C.Cl

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1O)C=O)NC(C)(C)C.Cl

InChI

InChI=1S/C13H17NO3.ClH/c1-8(16)11-10(14-13(2,3)4)6-5-9(7-15)12(11)17;/h5-7,14,17H,1-4H3;1H