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

Systemtic Name: 4-[(2R)-4-(carboxymethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-4-(carboxymethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-4-(carboxymethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-4-(carboxymethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-4-(carboxymethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C16H17NO7 MolecularWeight: 335.30868

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-2-12-16(23)17(8-15(21)22)10-7-9(3-5-13(10)24-12)11(18)4-6-14(19)20/h3,5,7,12H,2,4,6,8H2,1H3,(H,19,20)(H,21,22)/t12-/m1/s1