2-methylpropyl 4-[[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[[(2-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H21N7O7 MolecularWeight: 495.44484

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O7/c1-13(2)11-36-22(31)14-7-9-15(10-8-14)25-19-18(29(34)35)20(24-12-23-19)26-27-21(30)16-5-3-4-6-17(16)28(32)33/h3-10,12-13H,11H2,1-2H3,(H,27,30)(H2,23,24,25,26)