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

Systemtic Name: methyl 1-[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H22N6O6 MolecularWeight: 430.41458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O6/c1-30-19(27)13-7-9-24(10-8-13)18-16(25(28)29)17(20-12-21-18)23-22-15(26)11-31-14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3,(H,22,26)(H,20,21,23)