1-(2-morpholin-4-ylethyl)-4-nitro-pyrazole-3,5-dicarboxylic acid

Systemtic Name: 1-(2-morpholin-4-ylethyl)-4-nitro-pyrazole-3,5-dicarboxylic acid Openeye Name: 1-(2-morpholinoethyl)-4-nitro-pyrazole-3,5-dicarboxylic acid CAS Name: 1-[2-(4-morpholinyl)ethyl]-4-nitropyrazole-3,5-dicarboxylic acid IUPAC Name: 1-(2-morpholin-4-ylethyl)-4-nitropyrazole-3,5-dicarboxylic acid Traditional Name: 1-(2-morpholinoethyl)-4-nitro-pyrazole-3,5-dicarboxylic acid Formula: C11H14N4O7 MolecularWeight: 314.25146

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(=C(C(=N2)C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1CCN2C(=C(C(=N2)C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H14N4O7/c16-10(17)7-8(15(20)21)9(11(18)19)14(12-7)2-1-13-3-5-22-6-4-13/h1-6H2,(H,16,17)(H,18,19)