dimethyl 5-[[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N6O8 MolecularWeight: 496.4296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N6O8/c1-34-21(30)13-8-14(22(31)35-2)10-15(9-13)25-19-18(28(32)33)20(24-12-23-19)27-26-17(29)11-36-16-6-4-3-5-7-16/h3-10,12H,11H2,1-2H3,(H,26,29)(H2,23,24,25,27)