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

Systemtic Name: ethyl 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H21N7O6 MolecularWeight: 431.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O6/c1-2-31-18(26)12-7-9-23(10-8-12)17-15(25(29)30)16(19-11-20-17)22-21-13-3-5-14(6-4-13)24(27)28/h3-6,11-12,21H,2,7-10H2,1H3,(H,19,20,22)