2-methylpropyl 4-[[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(2-tert-butylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(tert-butylhydrazo)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N'-tert-butylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C19H26N6O4 MolecularWeight: 402.44754

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O4/c1-12(2)10-29-18(26)13-6-8-14(9-7-13)22-16-15(25(27)28)17(21-11-20-16)23-24-19(3,4)5/h6-9,11-12,24H,10H2,1-5H3,(H2,20,21,22,23)