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

Systemtic Name: ethyl 2-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate Openeye Name: ethyl 2-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate CAS Name: 2-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate Traditional Name: 2-[(4-keto-5-nitro-1H-pyrimidin-6-yl)amino]benzoic acid ethyl ester Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-2-22-13(19)8-5-3-4-6-9(8)16-11-10(17(20)21)12(18)15-7-14-11/h3-7H,2H2,1H3,(H2,14,15,16,18)