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

Systemtic Name: ethyl 4-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-2-28-17(25)23-10-8-22(9-11-23)16-14(24(26)27)15(18-12-19-16)21-20-13-6-4-3-5-7-13/h3-7,12,20H,2,8-11H2,1H3,(H,18,19,21)