ethyl 4-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20N8O5 MolecularWeight: 416.3913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N8O5/c1-2-30-17(27)24-9-7-23(8-10-24)15-13(25(28)29)14(19-11-20-15)21-22-16(26)12-3-5-18-6-4-12/h3-6,11H,2,7-10H2,1H3,(H,22,26)(H,19,20,21)