1-[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[2-(furan-2-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[[2-furanyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[N'-(2-furoyl)hydrazino]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H16N6O6 MolecularWeight: 376.32414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O6/c22-14(10-2-1-7-27-10)19-18-12-11(21(25)26)13(17-8-16-12)20-5-3-9(4-6-20)15(23)24/h1-2,7-9H,3-6H2,(H,19,22)(H,23,24)(H,16,17,18)