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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(2-phenylethanoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(2-phenylacetyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(1-oxo-2-phenylethyl)hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(2-phenylacetyl)hydrazino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O5/c1-2-31-20(28)15-8-10-25(11-9-15)19-17(26(29)30)18(21-13-22-19)24-23-16(27)12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,23,27)(H,21,22,24)