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

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(pyridin-2-ylcarbonylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[5-methyl-4-oxo-6-(pyridine-2-carbonylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-4-oxo-6-[[oxo(2-pyridinyl)methyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-6-(pyridine-2-carbonylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[(4-keto-5-methyl-6-picolinamido-3,1-benzoxazin-2-yl)amino]propionic acid Formula: C18H16N4O5 MolecularWeight: 368.34344

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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=CC=N3

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H16N4O5/c1-9-11(21-15(23)13-5-3-4-8-19-13)6-7-12-14(9)17(26)27-18(22-12)20-10(2)16(24)25/h3-8,10H,1-2H3,(H,20,22)(H,21,23)(H,24,25)