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

Systemtic Name: 2-methylpropyl 4-[[6-[2-(4-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[2-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(4-bromophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H21BrN6O5 MolecularWeight: 529.34334

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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=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN6O5/c1-13(2)11-34-22(31)15-5-9-17(10-6-15)26-19-18(29(32)33)20(25-12-24-19)27-28-21(30)14-3-7-16(23)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,28,30)(H2,24,25,26,27)