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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H21N7O6 MolecularWeight: 467.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N7O6/c1-13(2)11-34-21(29)14-3-5-15(6-4-14)24-19-18(28(32)33)20(23-12-22-19)26-25-16-7-9-17(10-8-16)27(30)31/h3-10,12-13,25H,11H2,1-2H3,(H2,22,23,24,26)