2-[4-chloranyl-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-chloro-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[4-chloro-6-methyl-2-[(4-nitrophenyl)methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[4-chloro-6-methyl-2-[(4-nitrophenyl)methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-chloro-6-methyl-2-(4-nitrobenzyl)pyrimidin-5-yl]acetic acid Formula: C14H12ClN3O4 MolecularWeight: 321.71578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])Cl)CC(=O)O

InChI

InChI=1S/C14H12ClN3O4/c1-8-11(7-13(19)20)14(15)17-12(16-8)6-9-2-4-10(5-3-9)18(21)22/h2-5H,6-7H2,1H3,(H,19,20)