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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H22N6O5 MolecularWeight: 414.41518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O5/c1-2-30-19(27)14-9-6-10-24(11-14)17-15(25(28)29)16(20-12-21-17)22-23-18(26)13-7-4-3-5-8-13/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,23,26)(H,20,21,22)