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

Systemtic Name: 4-[(2R)-4-(cyanomethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-4-(cyanomethyl)-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-4-(cyanomethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-4-(cyanomethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-(cyanomethyl)-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H17N2O5- MolecularWeight: 329.32728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-10(2)16-17(23)19(8-7-18)12-9-11(3-5-14(12)24-16)13(20)4-6-15(21)22/h3,5,9-10,16H,4,6,8H2,1-2H3,(H,21,22)/p-1/t16-/m1/s1