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2-[(4-nitrophenyl)methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

2-[(4-nitrophenyl)methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name:2-[(4-nitrophenyl)methyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid
Openeye Name:2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CAS Name:2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
IUPAC Name:2-[(4-nitrophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
Traditional Name:6-keto-2-(4-nitrobenzyl)-1H-pyrimidine-5-carboxylic acid
Formula: C12H9N3O5
MolecularWeight: 275.21696
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC=C(C(=O)N2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CC2=NC=C(C(=O)N2)C(=O)O)[N+](=O)[O-]


InChI

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


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