1-[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(naphthalene-1-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[1-naphthalenyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(1-naphthoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5/c28-20(16-7-3-5-13-4-1-2-6-15(13)16)25-24-18-17(27(31)32)19(23-12-22-18)26-10-8-14(9-11-26)21(29)30/h1-7,12,14H,8-11H2,(H,25,28)(H,29,30)(H,22,23,24)