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

Systemtic Name: 4-[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-4-14-17(22)18(10(2)3)12-9-11(5-7-15(12)23-14)13(19)6-8-16(20)21/h5,7,9-10,14H,4,6,8H2,1-3H3,(H,20,21)/p-1/t14-/m1/s1