3-methyl-4-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(2-oxo-1-pyrimidinyl)ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(2-ketopyrimidin-1-yl)acetyl]amino]-3-methyl-benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C=CC=NC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN2C=CC=NC2=O

InChI

InChI=1S/C14H13N3O4/c1-9-7-10(13(19)20)3-4-11(9)16-12(18)8-17-6-2-5-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20)