2-[6-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-[(4-nitrophenyl)methyl]-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[6-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[6-methyl-2-[(4-nitrophenyl)methyl]-4-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-6-methyl-2-(4-nitrobenzyl)-1H-pyrimidin-5-yl]acetic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c1-8-11(7-13(18)19)14(20)16-12(15-8)6-9-2-4-10(5-3-9)17(21)22/h2-5H,6-7H2,1H3,(H,18,19)(H,15,16,20)