2-methylpropyl 4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O5/c1-14(2)12-33-22(30)16-8-10-17(11-9-16)25-19-18(28(31)32)20(24-13-23-19)26-27-21(29)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,27,29)(H2,23,24,25,26)