methyl 2-[methyl-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H18N6O5 MolecularWeight: 422.39412

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O5/c1-25(15-11-7-6-10-14(15)20(28)31-2)18-16(26(29)30)17(21-12-22-18)23-24-19(27)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,24,27)(H,21,22,23)