2-[[6-(2-chloranyl-5-methyl-pyrimidin-4-yl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(2-chloranyl-5-methyl-pyrimidin-4-yl)-1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(2-chloro-5-methyl-pyrimidin-4-yl)-2-hydroxy-1-methyl-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(2-chloro-5-methyl-4-pyrimidinyl)-2-hydroxy-1-methyl-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(2-chloro-5-methylpyrimidin-4-yl)-2-hydroxy-1-methyl-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(2-chloro-5-methyl-pyrimidin-4-yl)-2-hydroxy-4-keto-1-methyl-quinoline-3-carbonyl]amino]acetic acid Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC3=C(C=C2)N(C(=C(C3=O)C(=O)NCC(=O)O)O)C)Cl

Isomeric SMILES

CC1=CN=C(N=C1C2=CC3=C(C=C2)N(C(=C(C3=O)C(=O)NCC(=O)O)O)C)Cl

InChI

InChI=1S/C18H15ClN4O5/c1-8-6-21-18(19)22-14(8)9-3-4-11-10(5-9)15(26)13(17(28)23(11)2)16(27)20-7-12(24)25/h3-6,28H,7H2,1-2H3,(H,20,27)(H,24,25)