2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one; ethanoic acid

Systemtic Name: 2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one; ethanoic acid Openeye Name: acetic acid; 2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one CAS Name: acetic acid; 2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one IUPAC Name: acetic acid; 2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one Traditional Name: acetic acid; 2-(butylamino)-5-ethyl-3,1-benzoxazin-4-one Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=CC=CC(=C2C(=O)O1)CC.CC(=O)O

Isomeric SMILES

CCCCNC1=NC2=CC=CC(=C2C(=O)O1)CC.CC(=O)O

InChI

InChI=1S/C14H18N2O2.C2H4O2/c1-3-5-9-15-14-16-11-8-6-7-10(4-2)12(11)13(17)18-14;1-2(3)4/h6-8H,3-5,9H2,1-2H3,(H,15,16);1H3,(H,3,4)