ethyl 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C14H20BrN5O5 MolecularWeight: 418.2431

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C14H20BrN5O5/c1-3-25-14(22)18-6-4-10(5-7-18)16-11(21)8-19-9(2)12(15)13(17-19)20(23)24/h10H,3-8H2,1-2H3,(H,16,21)