2-[(3-nitrophenyl)methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3-nitrophenyl)methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[(3-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[(3-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[(3-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-(3-nitrobenzyl)-1H-pyrimidine-5-carboxylic acid Formula: C12H9N3O5 MolecularWeight: 275.21696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C12H9N3O5/c16-11-9(12(17)18)6-13-10(14-11)5-7-2-1-3-8(4-7)15(19)20/h1-4,6H,5H2,(H,17,18)(H,13,14,16)