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

Systemtic Name: ethyl 4-[5-nitro-6-[2-(2-phenoxyethanoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-[(1-oxo-2-phenoxyethyl)hydrazo]-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-[N'-(2-phenoxyacetyl)hydrazino]pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N7O6 MolecularWeight: 445.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC(=O)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O6/c1-2-31-19(28)25-10-8-24(9-11-25)18-16(26(29)30)17(20-13-21-18)23-22-15(27)12-32-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,22,27)(H,20,21,23)