[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C13H10N4O7 MolecularWeight: 334.2411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CNC(=O)NC2=O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CNC(=O)NC2=O

InChI

InChI=1S/C13H10N4O7/c18-10(15-7-2-1-3-8(4-7)17(22)23)6-24-12(20)9-5-14-13(21)16-11(9)19/h1-5H,6H2,(H,15,18)(H2,14,16,19,21)