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

Systemtic Name: 4-[[(2R)-2-ethyl-3-oxidanylidene-4-(2-oxidanylidenepropyl)-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2R)-4-acetonyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2R)-2-ethyl-3-oxo-4-(2-oxopropyl)-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2R)-2-ethyl-3-oxo-4-(2-oxopropyl)-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2R)-4-acetonyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-3-13-17(24)19(9-10(2)20)12-8-11(4-5-14(12)25-13)18-15(21)6-7-16(22)23/h4-5,8,13H,3,6-7,9H2,1-2H3,(H,18,21)(H,22,23)/t13-/m1/s1