4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-2-ethyl-4-(2-hydroxyethyl)-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H18NO6- MolecularWeight: 320.31722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCO

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCO

InChI

InChI=1S/C16H19NO6/c1-2-13-16(22)17(7-8-18)11-9-10(3-5-14(11)23-13)12(19)4-6-15(20)21/h3,5,9,13,18H,2,4,6-8H2,1H3,(H,20,21)/p-1/t13-/m1/s1