2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethoxy]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethoxy]pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(4-nitroanilino)-2-oxo-ethoxy]pyrimidine-5-carboxylic acid CAS Name: 2-[2-(4-nitroanilino)-2-oxoethoxy]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(4-nitroanilino)-2-oxoethoxy]pyrimidine-5-carboxylic acid Traditional Name: 2-[2-keto-2-(4-nitroanilino)ethoxy]pyrimidine-5-carboxylic acid Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC2=NC=C(C=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC2=NC=C(C=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c18-11(16-9-1-3-10(4-2-9)17(21)22)7-23-13-14-5-8(6-15-13)12(19)20/h1-6H,7H2,(H,16,18)(H,19,20)