2-methylpropyl 4-[[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(2-pyridin-3-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[[oxo(3-pyridinyl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N'-nicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H21N7O5 MolecularWeight: 451.43534

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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=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7O5/c1-13(2)11-33-21(30)14-5-7-16(8-6-14)25-18-17(28(31)32)19(24-12-23-18)26-27-20(29)15-4-3-9-22-10-15/h3-10,12-13H,11H2,1-2H3,(H,27,29)(H2,23,24,25,26)