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

Systemtic Name: 2-methylpropyl 4-[[6-[2-(4-methoxyphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-[2-(4-methoxybenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-p-anisoylhydrazino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H24N6O6 MolecularWeight: 480.47326

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

InChI

InChI=1S/C23H24N6O6/c1-14(2)12-35-23(31)16-4-8-17(9-5-16)26-20-19(29(32)33)21(25-13-24-20)27-28-22(30)15-6-10-18(34-3)11-7-15/h4-11,13-14H,12H2,1-3H3,(H,28,30)(H2,24,25,26,27)