4-(3-nitrophenyl)-2-oxidanylidene-6-(propan-2-ylcarbamoyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-2-oxidanylidene-6-(propan-2-ylcarbamoyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-(isopropylcarbamoyl)-4-(3-nitrophenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(3-nitrophenyl)-2-oxo-6-[oxo-(propan-2-ylamino)methyl]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2-oxo-6-(propan-2-ylcarbamoyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-(isopropylcarbamoyl)-2-keto-4-(3-nitrophenyl)-1H-pyrimidine-5-carboxylic acid Formula: C15H14N4O6 MolecularWeight: 346.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C(=NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=C(C(=NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H14N4O6/c1-7(2)16-13(20)12-10(14(21)22)11(17-15(23)18-12)8-4-3-5-9(6-8)19(24)25/h3-7H,1-2H3,(H,16,20)(H,21,22)(H,17,18,23)