4-[[6-chloranyl-5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-chloranyl-5-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[(6-chloro-5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzoic acid CAS Name: 4-[(6-chloro-5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(6-chloro-5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)methyl]benzoic acid Traditional Name: 4-[(6-chloro-2,4-diketo-5-methyl-1H-pyrimidin-3-yl)methyl]benzoic acid Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC1=C(NC(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O4/c1-7-10(14)15-13(20)16(11(7)17)6-8-2-4-9(5-3-8)12(18)19/h2-5H,6H2,1H3,(H,15,20)(H,18,19)