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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN(C(=O)N=C1)CC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O4/c18-12(9-17-7-1-6-15-14(17)21)16-8-10-2-4-11(5-3-10)13(19)20/h1-7H,8-9H2,(H,16,18)(H,19,20)