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

Systemtic Name: dimethyl 5-[[6-[2-(4-methoxyphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[2-(4-methoxybenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(N'-p-anisoylhydrazino)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:

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H20N6O8/c1-34-16-6-4-12(5-7-16)20(29)27-26-19-17(28(32)33)18(23-11-24-19)25-15-9-13(21(30)35-2)8-14(10-15)22(31)36-3/h4-11H,1-3H3,(H,27,29)(H2,23,24,25,26)