methyl 2-[methyl-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C19H17N7O5 MolecularWeight: 423.38218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=NC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H17N7O5/c1-25(14-6-4-3-5-13(14)19(28)31-2)17-15(26(29)30)16(21-11-22-17)23-24-18(27)12-7-9-20-10-8-12/h3-11H,1-2H3,(H,24,27)(H,21,22,23)