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

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H20N6O6 MolecularWeight: 452.4201

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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)COC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H20N6O6/c1-26(16-11-7-6-10-15(16)21(29)32-2)20-18(27(30)31)19(22-13-23-20)25-24-17(28)12-33-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,24,28)(H,22,23,25)