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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H24N6O6 MolecularWeight: 444.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O6/c1-2-31-20(28)14-7-6-10-25(11-14)19-17(26(29)30)18(21-13-22-19)24-23-16(27)12-32-15-8-4-3-5-9-15/h3-5,8-9,13-14H,2,6-7,10-12H2,1H3,(H,23,27)(H,21,22,24)