dimethyl 5-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-keto-5-nitro-1H-pyrimidin-6-yl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H12N4O7 MolecularWeight: 348.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H12N4O7/c1-24-13(20)7-3-8(14(21)25-2)5-9(4-7)17-11-10(18(22)23)12(19)16-6-15-11/h3-6H,1-2H3,(H2,15,16,17,19)