ethyl 1-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-(2-pyridin-4-ylcarbonylhydrazinyl)pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[[oxo(pyridin-4-yl)methyl]hydrazo]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(pyridine-4-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(N'-isonicotinoylhydrazino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H21N7O5 MolecularWeight: 415.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O5/c1-2-30-18(27)13-4-3-9-24(10-13)16-14(25(28)29)15(20-11-21-16)22-23-17(26)12-5-7-19-8-6-12/h5-8,11,13H,2-4,9-10H2,1H3,(H,23,26)(H,20,21,22)