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

Systemtic Name: ethyl 4-[5-nitro-6-[2-(phenylcarbonyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(2-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(benzoylhydrazo)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(N'-benzoylhydrazino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N7O5 MolecularWeight: 415.40324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7O5/c1-2-30-18(27)24-10-8-23(9-11-24)16-14(25(28)29)15(19-12-20-16)21-22-17(26)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,22,26)(H,19,20,21)