methyl 1-[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[2-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[[(4-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[N'-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H19ClN6O5 MolecularWeight: 434.83366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN6O5/c1-30-18(27)12-6-8-24(9-7-12)16-14(25(28)29)15(20-10-21-16)22-23-17(26)11-2-4-13(19)5-3-11/h2-5,10,12H,6-9H2,1H3,(H,23,26)(H,20,21,22)