4-[(2R)-4-(cyanomethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2R)-4-(cyanomethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-4-(cyanomethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-2-13-16(22)18(8-7-17)11-9-10(3-5-14(11)23-13)12(19)4-6-15(20)21/h3,5,9,13H,2,4,6,8H2,1H3,(H,20,21)/t13-/m1/s1