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

Systemtic Name: ethyl 1-[6-[2-(4-fluorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[2-(4-fluorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[[(4-fluorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[N'-(4-fluorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H21FN6O5 MolecularWeight: 432.405643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN6O5/c1-2-31-19(28)13-4-3-9-25(10-13)17-15(26(29)30)16(21-11-22-17)23-24-18(27)12-5-7-14(20)8-6-12/h5-8,11,13H,2-4,9-10H2,1H3,(H,24,27)(H,21,22,23)