ethyl 1-[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[N'-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H20ClN7O7 MolecularWeight: 493.8578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN7O7/c1-2-34-19(29)11-5-7-25(8-6-11)17-15(27(32)33)16(21-10-22-17)23-24-18(28)12-3-4-13(20)14(9-12)26(30)31/h3-4,9-11H,2,5-8H2,1H3,(H,24,28)(H,21,22,23)