ethyl 4-[(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate

Systemtic Name: ethyl 4-[(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoate Openeye Name: ethyl 4-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]benzoate CAS Name: 4-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)amino]benzoate Traditional Name: 4-[(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)amino]benzoic acid ethyl ester Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C13H12N4O6/c1-2-23-12(20)7-3-5-8(6-4-7)14-13-15-10(18)9(17(21)22)11(19)16-13/h3-6H,2H2,1H3,(H3,14,15,16,18,19)