2-[3-[(3-nitrophenyl)methyl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-nitrophenyl)methyl]-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[3-[(3-nitrophenyl)methyl]-2,6-dioxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[3-[(3-nitrophenyl)methyl]-2,6-dioxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[3-[(3-nitrophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2,6-diketo-3-(3-nitrobenzyl)pyrimidin-1-yl]acetic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC(=O)N(C2=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC(=O)N(C2=O)CC(=O)O

InChI

InChI=1S/C13H11N3O6/c17-11-4-5-14(13(20)15(11)8-12(18)19)7-9-2-1-3-10(6-9)16(21)22/h1-6H,7-8H2,(H,18,19)