2-[[5-methyl-6-(1,2-oxazol-5-ylcarbonylamino)-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-6-(1,2-oxazol-5-ylcarbonylamino)-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[6-(isoxazole-5-carbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[6-[[5-isoxazolyl(oxo)methyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-6-(1,2-oxazole-5-carbonylamino)-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[6-(isoxazole-5-carbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C3=CC=NO3

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C3=CC=NO3

InChI

InChI=1S/C16H14N4O6/c1-7-9(19-13(21)11-5-6-17-26-11)3-4-10-12(7)15(24)25-16(20-10)18-8(2)14(22)23/h3-6,8H,1-2H3,(H,18,20)(H,19,21)(H,22,23)