4-[[4-(2-methoxy-2-oxidanylidene-ethoxy)-6-methyl-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(2-methoxy-2-oxidanylidene-ethoxy)-6-methyl-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2-methoxy-2-oxo-ethoxy)-6-methyl-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(2-methoxy-2-oxoethoxy)-6-methyl-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-methoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2-keto-2-methoxy-ethoxy)-6-methyl-pyrimidin-2-yl]amino]benzoic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)OCC(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)O)OCC(=O)OC

InChI

InChI=1S/C15H15N3O5/c1-9-7-12(23-8-13(19)22-2)18-15(16-9)17-11-5-3-10(4-6-11)14(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H,16,17,18)