ethyl 1-[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[2-(furan-2-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[[2-furanyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[N'-(2-furoyl)hydrazino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C17H20N6O6 MolecularWeight: 404.3773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O6/c1-2-28-17(25)11-5-3-7-22(9-11)15-13(23(26)27)14(18-10-19-15)20-21-16(24)12-6-4-8-29-12/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,21,24)(H,18,19,20)