4-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzoate

Systemtic Name: 4-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzoate Openeye Name: 4-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]benzoate IUPAC Name: 4-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]benzoate Formula: C14H13N2O3- MolecularWeight: 257.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C14H14N2O3/c1-9-7-10(2)16(14(19)15-9)8-11-3-5-12(6-4-11)13(17)18/h3-7H,8H2,1-2H3,(H,17,18)/p-1