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

Systemtic Name: dimethyl 5-[[6-[2-(4-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[2-(4-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[[(4-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-(N'-p-toluoylhydrazino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H20N6O7 MolecularWeight: 480.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H20N6O7/c1-12-4-6-13(7-5-12)20(29)27-26-19-17(28(32)33)18(23-11-24-19)25-16-9-14(21(30)34-2)8-15(10-16)22(31)35-3/h4-11H,1-3H3,(H,27,29)(H2,23,24,25,26)