[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-5-carboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-5-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H9BrN4O7 MolecularWeight: 413.13716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN4O7/c14-8-3-6(18(23)24)1-2-9(8)16-10(19)5-25-12(21)7-4-15-13(22)17-11(7)20/h1-4H,5H2,(H,16,19)(H2,15,17,20,22)